%chk=000026536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026536

1 1
 O   0.3771000      -1.045100     -0.1016000    
 N    4.104900      -1.006900      6.7100003E-02
 C    2.724800      -1.445700     -0.4008000    
 C    1.670100     -0.6158000      0.3041000    
 C    4.207900      -1.179900       1.575700    
 C    5.166000      -1.858600     -0.6148000    
 C    4.321000      0.4562000     -0.2915000    
 C  -0.6461000     -0.2927000      0.5360000    
 C  -0.5068000       1.174800      0.1880000    
 C   -2.024800     -0.8439000      0.2279000    
 C  -0.9238000       2.126900       1.101200    
 C   -3.031300     -0.7000000       1.164800    
 C   3.4699999E-02   1.529600      -1.034700    
 C   -2.241300      -1.476200     -0.9824000    
 C  -0.7954000       3.478400      0.7809000    
 C   -4.299600      -1.206800      0.8814000    
 C   0.1632000       2.881100      -1.354800    
 C   -3.509700      -1.982900      -1.265800    
 C  -0.2519000       3.855500     -0.4470000    
 C   -4.538900      -1.848100     -0.3337000    
 H    2.671200      -1.320300      -1.489000    
 H    2.607100      -2.513000     -0.1778000    
 H    1.717400     -0.7727000       1.386000    
 H    1.834800      0.4402000      0.1132000    
 H    3.863000      -2.183800       1.840200    
 H    5.259900      -1.063400       1.856400    
 H    3.628300     -0.4078000       2.087800    
 H    5.075000      -1.721500      -1.696400    
 H    6.152300      -1.532900     -0.2710000    
 H    4.994900      -2.904700     -0.3444000    
 H    4.044300      0.6080000      -1.339000    
 H    3.743200       1.102600      0.3736000    
 H    5.383100      0.6833000     -0.1523000    
 H  -0.4872000     -0.4159000       1.617800    
 H   -1.342900       1.846400       2.062800    
 H   -2.857000     -0.2072000       2.116500    
 H   0.3370000      0.7942000      -1.774700    
 H   -1.457200      -1.583100      -1.725700    
 H   -1.117400       4.237100       1.488200    
 H   -5.100600      -1.102800       1.607400    
 H   0.5799000       3.175000      -2.313800    
 H   -3.697000      -2.480300      -2.212900    
 H  -0.1531000       4.907700     -0.6969000    
 H   -5.526500      -2.242200     -0.5545000    


%chk=000026536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026536

1 1
O 0.421048 -0.917637 0.126235
N 4.186780 -1.082176 0.126634
C 2.685417 -1.399494 -0.068061
C 1.705611 -0.402775 0.573603
C 4.546130 -1.057025 1.611730
C 4.990442 -2.188924 -0.560523
C 4.547129 0.259029 -0.513164
C -0.754793 -0.166352 0.687270
C -0.666305 1.316681 0.326272
C -2.005671 -0.864173 0.167366
C -0.402793 2.277394 1.334212
C -3.219570 -0.700201 0.879924
C -0.824593 1.747266 -1.016497
C -1.997319 -1.632777 -1.021489
C -0.303015 3.650799 1.010844
C -4.411361 -1.290663 0.407405
C -0.713695 3.115525 -1.342726
C -3.190226 -2.228453 -1.490686
C -0.454264 4.071365 -0.329957
C -4.400443 -2.057236 -0.781326
H 2.500993 -1.429938 -1.155585
H 2.512531 -2.407390 0.345688
H 1.766333 -0.410441 1.684137
H 1.859429 0.636906 0.217735
H 4.236609 -2.008444 2.070422
H 5.634690 -0.927445 1.712841
H 4.027275 -0.220585 2.100671
H 4.735151 -2.205372 -1.630854
H 6.065026 -1.986349 -0.434971
H 4.734923 -3.156255 -0.102277
H 4.221720 0.251237 -1.564469
H 4.042418 1.072834 0.025721
H 5.637846 0.397352 -0.458085
H -0.709063 -0.262594 1.794220
H -0.298839 1.955008 2.378973
H -3.239263 -0.104232 1.800994
H -1.057522 1.012415 -1.795058
H -1.057952 -1.778707 -1.562876
H -0.119283 4.388177 1.799672
H -5.344051 -1.156557 0.965470
H -0.848930 3.442639 -2.379386
H -3.175022 -2.826516 -2.408499
H -0.386784 5.134885 -0.582913
H -5.324144 -2.518003 -1.147137


