%chk=000183378.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183378

0 1
S -5.933272 2.402554 0.869846
O -6.499778 3.306701 1.840725
O -5.638262 2.844863 -0.469869
N -0.569163 -1.558691 -0.604129
N 3.619233 -1.496057 0.155569
N -2.536876 -0.397513 -2.247659
N 3.718323 3.350106 0.144739
N -4.480117 1.866590 1.642259
C 0.808343 -1.484688 -0.310565
C 1.524340 -0.269077 -0.226132
C 2.941245 -0.333894 0.036870
C 1.526150 -2.729499 -0.198263
C 3.708163 0.904422 0.184214
C 2.934951 -2.679259 0.022912
C -1.530495 -0.643368 -0.027558
C 0.930531 1.037947 -0.425946
C 3.052984 2.151874 0.015511
C -2.507629 -0.048244 -0.889232
C 1.639986 2.185183 -0.312465
C 0.908240 -4.020710 -0.287769
C 3.690708 -3.903013 0.129888
C -1.536260 -0.353740 1.343141
C 5.089573 0.909781 0.489986
C -3.477759 1.060712 1.053923
C -3.475756 0.805976 -0.324943
C -2.491413 0.491512 1.893893
C 1.642945 -5.169814 -0.179691
C 3.057705 -5.108629 0.028694
C 5.755785 2.117984 0.619553
C 5.030651 3.320745 0.439336
C -3.260021 0.465113 -3.210771
C -6.880563 0.945957 0.780075
H -0.952014 -2.516201 -0.643328
H -0.126874 1.088040 -0.693908
H 1.187455 3.167107 -0.464039
H -0.170819 -4.077439 -0.446827
H 4.766926 -3.820796 0.290839
H -0.770433 -0.793525 1.987508
H 5.613831 -0.042599 0.620461
H -4.181535 1.315960 -0.986415
H -2.473667 0.710181 2.956811
H 1.170189 -6.147504 -0.249244
H 3.613112 -6.043506 0.105695
H -1.664587 -0.778049 -2.627404
H -4.272887 2.211926 2.591105
H 6.815915 2.152274 0.854625
H 5.528098 4.294008 0.535875
H -4.327711 0.542636 -2.935080
H -3.209768 0.008577 -4.213153
H -2.854319 1.490310 -3.270583
H -7.330560 0.656194 1.742406
H -7.724234 1.027970 0.076227
H -6.310811 0.065212 0.440883


%chk=000183378-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183378

0 1
S -6.255051 2.236432 0.855035
O -6.905211 3.277561 1.917500
O -6.215414 2.572245 -0.736357
N -0.481951 -1.272191 -0.689895
N 3.714196 -1.529315 0.181838
N -2.510732 -0.314810 -2.319421
N 4.105363 3.343653 0.281549
N -4.614653 1.933012 1.548718
C 0.882721 -1.322409 -0.354857
C 1.684812 -0.144889 -0.200467
C 3.097135 -0.317883 0.096701
C 1.514704 -2.614949 -0.233618
C 3.932817 0.872329 0.281677
C 2.947880 -2.656607 0.004551
C -1.483926 -0.417895 -0.113499
C 1.171274 1.197199 -0.389066
C 3.367423 2.182970 0.121034
C -2.547578 0.028636 -0.967101
C 1.972659 2.311803 -0.236666
C 0.801443 -3.859016 -0.319106
C 3.606970 -3.930149 0.079649
C -1.477582 -0.048684 1.246485
C 5.313373 0.776692 0.613776
C -3.578197 1.160265 0.956433
C -3.594826 0.817028 -0.418246
C -2.512968 0.733151 1.795751
C 1.469440 -5.081799 -0.233541
C 2.889412 -5.118151 -0.046624
C 6.060824 1.952275 0.777659
C 5.413924 3.210106 0.602981
C -3.511598 0.149140 -3.282186
C -7.070592 0.519827 1.043012
H -0.854944 -2.132259 -1.105321
H 0.120914 1.331251 -0.656822
H 1.583828 3.323919 -0.382123
H -0.291467 -3.868961 -0.415061
H 4.688466 -3.920685 0.246095
H -0.659305 -0.394858 1.886653
H 5.750905 -0.218602 0.730718
H -4.366765 1.235048 -1.069907
H -2.510940 0.985585 2.860820
H 0.905128 -6.018748 -0.292136
H 3.403793 -6.083369 0.014456
H -1.595858 -0.596405 -2.678045
H -4.418895 2.591950 2.309496
H 7.124092 1.917713 1.034882
H 5.974635 4.144705 0.726024
H -4.520996 -0.203991 -3.000733
H -3.274308 -0.262987 -4.276640
H -3.550745 1.255717 -3.363236
H -7.111252 0.325095 2.122407
H -8.066297 0.617543 0.588542
H -6.428281 -0.190637 0.504827


