%chk=000045779.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045779

2 1
 S   0.4134000      -2.582700      0.3931000    
 N   -2.294500      0.4127000     -0.2920000    
 N    3.237500      0.4037000     -0.1226000    
 C   -1.305500     -0.4167000      0.4386000    
 C   -3.449900     -0.4513000     -0.8169000    
 C   -2.885600       1.492500      0.6253000    
 C   -1.640200       1.112800      -1.491500    
 C  -0.7879000      -1.532200     -0.4546000    
 C    2.196500     -0.6457000     -0.4848000    
 C    1.654300      -1.308600      0.7710000    
 C   -4.114400      -1.154600      0.3463000    
 C   -1.777200       2.409600       1.093900    
 C    4.346100     -0.2426000      0.6956000    
 C    3.825400      0.9953000      -1.395700    
 C    2.582000       1.507900      0.6943000    
 H  -0.4779000      0.2434000      0.7000000    
 H   -1.739200     -0.7814000       1.375600    
 H   -4.160600      0.2241000      -1.308900    
 H   -3.083200      -1.144400      -1.579000    
 H   -3.651500       2.040600      6.5700002E-02
 H   -3.332600       1.017800       1.501800    
 H   -1.527700      0.3924000      -2.307000    
 H   -2.298100       1.920900      -1.826300    
 H  -0.6576000       1.497100      -1.205600    
 H   -1.585500      -2.231800     -0.7151000    
 H  -0.3611000      -1.190700      -1.398700    
 H    1.429700     -0.1194000      -1.059200    
 H    2.686000      -1.376700      -1.140200    
 H    2.444000      -1.864900       1.283800    
 H    1.237400     -0.6221000       1.507800    
 H   -4.922400      -1.779000     -5.5700000E-02
 H   -3.460700      -1.841600      0.8879000    
 H   -4.601700     -0.4816000       1.054800    
 H   -2.223800       3.201600       1.707800    
 H   -1.047900       1.916000       1.741400    
 H   -1.252700       2.923200      0.2850000    
 H    4.691700      -1.140000      0.1739000    
 H    5.166300      0.4777000      0.7801000    
 H    3.984600     -0.4770000       1.700000    
 H    3.014200       1.450100      -1.971900    
 H    4.567000       1.751100      -1.120500    
 H    4.297000      0.1895000      -1.966000    
 H    1.696300       1.863300      0.1595000    
 H    2.321600       1.139200       1.688800    
 H    3.304900       2.323200      0.8006000    


%chk=000045779-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045779

2 1
S 0.583106 -0.554570 0.695740
N -3.333404 0.931744 0.271212
N 4.667982 -0.430370 -0.344518
C -2.073633 0.124978 0.654961
C -3.607139 0.887660 -1.263951
C -4.565509 0.318653 1.015194
C -3.175649 2.398945 0.669918
C -0.775673 0.550053 -0.057431
C 3.289311 -0.712527 0.308720
C 2.097676 0.058473 -0.287265
C -3.809233 -0.508253 -1.861463
C -4.560034 0.463494 2.540636
C 5.044038 1.047109 -0.218661
C 5.711358 -1.272086 0.404774
C 4.674889 -0.839184 -1.819298
H -1.956831 0.238306 1.745511
H -2.297381 -0.933613 0.442788
H -4.503259 1.513895 -1.417403
H -2.755959 1.402696 -1.741019
H -5.446180 0.822333 0.579223
H -4.595664 -0.744221 0.726212
H -2.451031 2.885602 0.000650
H -4.150710 2.900259 0.571931
H -2.828976 2.467865 1.710680
H -0.808315 0.359349 -1.142183
H -0.509695 1.601069 0.140407
H 3.125797 -1.800888 0.215730
H 3.402685 -0.468183 1.379595
H 2.183333 1.146818 -0.137478
H 1.931313 -0.172562 -1.351737
H -3.954357 -0.386053 -2.949457
H -2.936745 -1.170467 -1.727477
H -4.708587 -1.017904 -1.480745
H -5.480871 -0.017552 2.915920
H -3.717776 -0.053001 3.030788
H -4.593210 1.511415 2.879547
H 4.998639 1.342863 0.840664
H 6.068082 1.184754 -0.597867
H 4.350657 1.657769 -0.814575
H 5.444745 -2.336658 0.321852
H 6.699993 -1.100611 -0.047020
H 5.728732 -0.969612 1.462829
H 4.372295 -1.894146 -1.903809
H 3.983848 -0.198862 -2.385893
H 5.693839 -0.714077 -2.215831


