%chk=000045238.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045238

0 1
 O   0.9712000     -0.4423000      8.5199997E-02
 O    1.403300      0.9067000       1.899700    
 N   -2.479700     -0.2264000     -0.5784000    
 C   -5.061800       1.044200     -1.8500000E-02
 C   -4.403400      5.7200000E-02  0.9513000    
 C   -3.989100       1.709100     -0.8880000    
 C   -3.498700     -0.9305000      0.2115000    
 C   -3.098700      0.6665000      -1.567200    
 C   -1.591800      -1.183600      -1.238000    
 C  -0.8267000      -2.057600     -0.2216000    
 C   -5.882500       2.087800      0.7340000    
 C  -3.1999999E-03  -1.215400      0.7820000    
 C   9.9799998E-02  -3.049500     -0.9434000    
 C   0.6990000      -2.054500       1.844000    
 C    1.739800      0.3759000      0.8527000    
 C    3.082300      0.5541000      0.2440000    
 C    4.164200      0.7819000       1.069600    
 C    3.206300      0.4868000      -1.128600    
 C    5.425300      0.9496000      0.4977000    
 C    4.467400      0.6544000      -1.700500    
 C    5.576900      0.8858000     -0.8874000    
 H   -5.742400      0.4848000     -0.6741000    
 H   -5.174600     -0.4966000       1.500200    
 H   -3.811900      0.6031000       1.698400    
 H   -3.367000       2.373800     -0.2742000    
 H   -4.463500       2.335400      -1.653100    
 H   -3.053900      -1.552700      0.9927000    
 H   -4.108400      -1.584900     -0.4253000    
 H   -3.689900      9.5299996E-02  -2.295100    
 H   -2.319600       1.198700      -2.126500    
 H   -2.157100      -1.830200      -1.922900    
 H  -0.8604000     -0.6414000      -1.851500    
 H   -1.530800      -2.684100      0.3371000    
 H   -6.370700       2.774900      3.4899998E-02
 H   -6.663100       1.608300       1.333800    
 H   -5.254000       2.680400       1.407500    
 H  -0.6859000     -0.5298000       1.299600    
 H   0.8995000      -2.535900      -1.487200    
 H  -0.4699000      -3.637400      -1.671900    
 H   0.5559000      -3.760400     -0.2480000    
 H    1.587400      -2.555800       1.444900    
 H   2.2500001E-02  -2.809500       2.257700    
 H    1.041000      -1.443000       2.685000    
 H    4.059100      0.8299000       2.149400    
 H    2.356900      0.3208000      -1.784400    
 H    6.289400       1.129000       1.130800    
 H    4.585400      0.6078000      -2.779200    
 H    6.558700       1.016800      -1.332800    


%chk=000045238-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045238

0 1
O 1.128195 -1.122995 0.293466
O 1.235511 0.516541 1.953985
N -2.355126 -0.444789 -0.460877
C -4.631392 1.404449 -0.035279
C -4.548299 0.011931 0.637127
C -3.197862 1.899043 -0.350032
C -3.717808 -0.973342 -0.209676
C -2.406298 0.859293 -1.168175
C -1.459431 -1.430025 -1.110218
C -0.869867 -2.467057 -0.114963
C -5.409518 2.415428 0.832528
C -0.056971 -1.753100 0.987003
C -0.073532 -3.550775 -0.876047
C 0.456277 -2.651994 2.118107
C 1.671835 0.015196 0.885984
C 2.822763 0.561811 0.102530
C 3.450490 1.741124 0.580912
C 3.293282 -0.057160 -1.084686
C 4.537489 2.298636 -0.122824
C 4.382556 0.503328 -1.785440
C 5.005566 1.681067 -1.307551
H -5.169072 1.282540 -1.002073
H -5.565210 -0.400186 0.791938
H -4.073628 0.117461 1.633065
H -2.660442 2.088664 0.600353
H -3.237106 2.854952 -0.909053
H -3.635715 -1.942832 0.315467
H -4.253046 -1.169444 -1.178316
H -2.878605 0.754447 -2.181932
H -1.368760 1.209798 -1.322091
H -1.977518 -1.980719 -1.936161
H -0.615323 -0.881164 -1.568726
H -1.711292 -2.961957 0.414827
H -5.479669 3.401246 0.335257
H -6.438496 2.063512 1.036542
H -4.904025 2.564314 1.806091
H -0.666186 -0.923436 1.390944
H 0.800169 -3.107906 -1.386925
H -0.710378 -4.033529 -1.640342
H 0.293977 -4.342232 -0.199394
H 1.173106 -3.403955 1.745022
H -0.391320 -3.183274 2.589718
H 0.952763 -2.044814 2.893447
H 3.070183 2.198848 1.500160
H 2.802912 -0.967564 -1.440408
H 5.019878 3.209429 0.248169
H 4.746528 0.024785 -2.701280
H 5.851015 2.113910 -1.854272


