%chk=000037965.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037965

0 1
 O   -1.299400      -1.221800      0.2815000    
 O  -3.2800000E-02  0.2843000     -0.8836000    
 O    6.397900     -0.6107000     -0.2561000    
 N   -6.569100      0.7030000     -0.2037000    
 N   0.9321000      -1.411800      0.4096000    
 C   -5.323800      9.5100001E-02  0.2409000    
 C   -4.912600      -1.015700     -0.7327000    
 C   -4.222700       1.155500      0.3688000    
 C   -3.579000      -1.640000     -0.3300000    
 C   -2.890200      0.5264000      0.7677000    
 C   -2.481200     -0.5873000     -0.1951000    
 C   -7.037100       1.747300      0.7071000    
 C   -7.667400     -0.2607000     -0.2726000    
 C   -8.482500       1.950900      0.2776000    
 C   -8.897800      0.6300000     -0.3629000    
 C  -0.1070000     -0.6858000     -0.1393000    
 C    2.320700      -1.207400      0.2417000    
 C    2.779800     -0.1652000     -0.5636000    
 C    3.231800      -2.048800      0.8802000    
 C    4.149900      3.5900000E-02 -0.7303000    
 C    4.602000      -1.847900      0.7135000    
 C    5.061000     -0.8054000     -9.1700003E-02
 C    8.247800      0.8843000      5.8600001E-02
 C    6.835600      0.7275000     -0.4874000    
 C    8.775200       2.302200     -0.1416000    
 C    10.16870       2.466000      0.4435000    
 H   -5.464700     -0.3611000       1.232000    
 H   -5.651900      -1.823700     -0.7601000    
 H   -4.830900     -0.6176000      -1.752800    
 H   -4.098100       1.690900     -0.5816000    
 H   -4.470900       1.903100       1.130300    
 H   -3.279200      -2.394100      -1.068000    
 H   -3.691300      -2.182000      0.6181000    
 H   -2.956200      0.1265000       1.788000    
 H   -2.111600       1.297700      0.8025000    
 H   -2.316100     -0.1625000      -1.194500    
 H   -6.482100       2.685300      0.6069000    
 H   -7.005000       1.424200       1.755700    
 H   -7.614700     -0.9118000      -1.150500    
 H   -7.727100     -0.8829000      0.6297000    
 H   -8.560900       2.759900     -0.4583000    
 H   -9.121900       2.207600       1.128200    
 H   -9.182400      0.7989000      -1.408200    
 H   -9.755100      0.1830000      0.1504000    
 H   0.6693000      -2.190100       1.009300    
 H    2.134200      0.5210000      -1.094100    
 H    2.887300      -2.864900       1.510200    
 H    4.466000      0.8406000      -1.387800    
 H    5.307100      -2.506500       1.213100    
 H    8.910500      0.1593000     -0.4302000    
 H    8.254200      0.6243000       1.124700    
 H    6.824100      0.9258000      -1.565400    
 H    6.193200       1.455000      2.5500000E-02
 H    8.801900       2.541900      -1.211000    
 H    8.100600       3.022600      0.3356000    
 H    10.16830       2.266800       1.519900    
 H    10.52760       3.488200      0.2875000    
 H    10.87710       1.780800     -3.2900002E-02


%chk=000037965-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037965

0 1
O -1.343957 -1.284682 0.036705
O -0.087528 0.524452 -0.821447
O 6.465124 -0.301318 0.463682
N -6.781010 0.611124 -0.182552
N 0.899160 -1.331244 0.276888
C -5.483750 -0.000239 0.206115
C -5.052893 -1.070182 -0.831094
C -4.377171 1.077020 0.331981
C -3.675503 -1.691215 -0.493796
C -3.002107 0.456997 0.676052
C -2.609525 -0.597512 -0.372048
C -7.279550 1.677119 0.730973
C -7.912316 -0.357214 -0.285611
C -8.725433 1.917343 0.243854
C -9.197673 0.518544 -0.269406
C -0.150282 -0.582988 -0.226504
C 2.286014 -1.006364 0.268947
C 2.802113 0.180743 -0.306149
C 3.180883 -1.927065 0.880527
C 4.189036 0.444141 -0.260993
C 4.559493 -1.664536 0.924612
C 5.074312 -0.472581 0.356701
C 8.547917 0.898926 0.199699
C 7.044813 0.938730 -0.083713
C 9.273423 2.158325 -0.328908
C 10.788939 2.130499 -0.035911
H -5.581927 -0.511664 1.206341
H -5.802776 -1.880257 -0.885415
H -5.024378 -0.586866 -1.828431
H -4.320664 1.629487 -0.627440
H -4.638683 1.812154 1.114581
H -3.381910 -2.419870 -1.271622
H -3.732017 -2.240692 0.466776
H -3.045766 -0.033339 1.669309
H -2.230860 1.246245 0.721773
H -2.425684 -0.105505 -1.347066
H -6.658193 2.585340 0.661137
H -7.278356 1.338032 1.800672
H -7.829814 -0.960520 -1.205644
H -7.915739 -1.063760 0.585043
H -8.722949 2.646973 -0.584106
H -9.368207 2.317127 1.047633
H -9.638011 0.601516 -1.277579
H -9.963860 0.075522 0.390913
H 0.624822 -2.209957 0.721078
H 2.118965 0.888111 -0.780710
H 2.795124 -2.852214 1.327193
H 4.559181 1.369189 -0.712452
H 5.253844 -2.366243 1.396182
H 8.978076 -0.008196 -0.266598
H 8.704249 0.803857 1.291484
H 6.847139 0.992785 -1.175360
H 6.572395 1.817511 0.404556
H 9.109984 2.248687 -1.422318
H 8.826006 3.063526 0.130343
H 10.980469 2.072236 1.051861
H 11.290179 3.037491 -0.420120
H 11.268030 1.252569 -0.508318


