%chk=000154059.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154059

0 1
 O    1.299600     -0.8132000      0.5466000    
 O    1.020000      -2.856800     -0.4395000    
 N    4.526400     -0.4503000     -0.8356000    
 N  -0.8045000      -1.423200     -0.1954000    
 C    3.378700      7.2600000E-02   1.436300    
 C    2.689400      -1.106600      0.7261000    
 C    3.346000       1.296600      0.5044000    
 C    4.850700     -0.3127000       1.640800    
 C    3.366200      -1.349000     -0.6350000    
 C    4.047100      0.9488000     -0.8185000    
 C    5.482400     -0.6410000      0.2777000    
 C   0.5494000      -1.785400     -6.1200000E-02
 C   -1.378100     -0.2266000      0.4849000    
 C   -1.709800      -2.387100     -0.8274000    
 C   -2.899900     -0.1991000      0.5256000    
 C   -2.948000      -1.751000      -1.441800    
 C   -3.656300     -0.9151000     -0.4165000    
 C  -0.8198000       1.076500     -8.4799998E-02
 C   -3.566600      0.5743000       1.489100    
 C   -5.053900     -0.8260000     -0.4071000    
 C  -0.7079000       2.193200      0.7354000    
 C  -0.4288000       1.132900      -1.417500    
 C   -4.959800      0.6451000       1.503100    
 C   -5.702400     -5.0500002E-02  0.5526000    
 C  -0.1980000       3.383000      0.2156000    
 C   8.1299998E-02   2.322700      -1.937200    
 C   0.1966000       3.447800      -1.120600    
 H    2.885700      0.3086000       2.385000    
 H    2.773800      -1.999400       1.360100    
 H    2.314900       1.603400      0.3135000    
 H    3.851300       2.144600      0.9817000    
 H    5.393600      0.5127000       2.116500    
 H    4.926500      -1.179800       2.307400    
 H    3.713900      -2.388200     -0.6941000    
 H    2.680400      -1.212200      -1.479900    
 H    3.362800       1.117000      -1.659500    
 H    4.890000       1.630900     -0.9861000    
 H    6.367900     -1.3600000E-02  0.1162000    
 H    5.851000      -1.674400      0.2753000    
 H   -1.024600     -0.3157000       1.522600    
 H   -1.996200      -3.101800     -4.4900000E-02
 H   -1.165200      -2.952600      -1.592000    
 H   -3.606100      -2.542000      -1.819300    
 H   -2.673300      -1.111500      -2.288800    
 H   -3.011400       1.121500       2.245400    
 H   -5.644800      -1.365700      -1.142500    
 H  -0.9898000       2.156600       1.783100    
 H  -0.5172000      0.2800000      -2.083100    
 H   -5.464900       1.245500       2.254200    
 H   -6.786700      9.3999999E-03  0.5602000    
 H  -0.1029000       4.257400      0.8528000    
 H   0.3873000       2.373900      -2.978000    
 H   0.5950000       4.373600      -1.524900    


%chk=000154059-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000154059

0 1
O 1.348284 -0.826308 0.439943
O 0.873555 -2.803604 -0.751656
N 4.819051 -0.368480 -0.257104
N -0.725517 -1.107900 -0.540563
C 3.308325 -0.522819 1.858480
C 2.712043 -1.371681 0.716697
C 3.447117 0.958282 1.410784
C 4.720809 -1.096077 2.170120
C 3.650150 -1.250833 -0.534225
C 4.333126 0.997907 0.112931
C 5.608584 -0.937817 0.877868
C 0.514462 -1.671109 -0.321523
C -1.142683 0.191350 0.056795
C -1.701613 -1.923317 -1.314737
C -2.530108 0.028272 0.670992
C -3.058170 -1.191160 -1.443714
C -3.507941 -0.659356 -0.096231
C -1.063438 1.355744 -0.963103
C -2.856152 0.529447 1.949167
C -4.808279 -0.830179 0.426812
C -1.828407 2.534232 -0.771134
C -0.173453 1.294584 -2.064216
C -4.162660 0.364079 2.466172
C -5.139886 -0.314525 1.702362
C -1.708391 3.624306 -1.662482
C -0.053496 2.382806 -2.957206
C -0.820095 3.554217 -2.759716
H 2.658002 -0.595883 2.748099
H 2.589057 -2.426990 1.021284
H 2.448706 1.389065 1.221207
H 3.912129 1.540033 2.229157
H 5.155755 -0.543897 3.024132
H 4.644836 -2.158427 2.472525
H 4.016081 -2.245239 -0.841832
H 3.082292 -0.825007 -1.381097
H 3.759105 1.392680 -0.744701
H 5.217476 1.646368 0.249231
H 6.464570 -0.264406 1.063521
H 6.016674 -1.912500 0.554234
H -0.414433 0.410546 0.857202
H -1.837685 -2.892369 -0.798560
H -1.281539 -2.143779 -2.313358
H -3.798851 -1.889911 -1.870778
H -2.949619 -0.351581 -2.158472
H -2.091044 1.044574 2.542928
H -5.562853 -1.367542 -0.160222
H -2.527797 2.596947 0.069683
H 0.422003 0.389772 -2.225348
H -4.413753 0.754368 3.458544
H -6.151532 -0.449086 2.101316
H -2.310765 4.525797 -1.501697
H 0.637658 2.316094 -3.805243
H -0.728689 4.398414 -3.452268


