%chk=000291856.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291856

0 1
S 2.970305 0.779371 1.031598
O 3.328740 2.099343 0.550661
O 3.280731 0.369693 2.387764
O -0.624531 1.464282 -2.676159
O -2.479626 1.817569 -1.634166
N 3.740767 -0.339289 -0.033038
N -2.761483 -0.505470 0.307653
N -1.337103 1.378482 -1.684179
C 3.930843 0.096898 -1.449268
C 3.208192 -1.731826 -0.077131
C 2.964823 -0.737786 -2.319094
C 2.466076 -1.888655 -1.423902
C -3.499356 -1.217282 1.403028
C -3.583912 -0.468099 -0.938096
C -4.862092 -1.615442 0.814214
C -4.732806 -1.461594 -0.709579
C -1.518605 0.021778 0.487406
C 1.266268 0.550983 0.819950
C -0.773110 0.744070 -0.506397
C 0.617636 0.951274 -0.326768
C -0.837268 -0.242654 1.735504
C 0.504275 0.002107 1.881467
H 4.989493 -0.115396 -1.721159
H 3.790627 1.191279 -1.573016
H 2.567502 -1.967792 0.792835
H 4.081223 -2.422013 -0.026438
H 3.479019 -1.122299 -3.215819
H 2.123258 -0.127566 -2.690234
H 1.373230 -1.833375 -1.285202
H 2.674225 -2.870549 -1.878762
H -3.615287 -0.549689 2.283967
H -2.919417 -2.112159 1.720041
H -2.966949 -0.743134 -1.818174
H -3.976515 0.568548 -1.104639
H -5.664732 -0.962526 1.205728
H -5.135952 -2.647258 1.094729
H -4.516195 -2.434973 -1.187077
H -5.671451 -1.095741 -1.162431
H 1.167640 1.463697 -1.134226
H -1.394984 -0.639564 2.579841
H 1.008898 -0.224642 2.833266


%chk=000291856-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291856

0 1
S 3.003533 0.888676 0.889217
O 3.277799 2.340663 0.202413
O 3.353815 0.529323 2.436518
O -1.007662 2.052089 -2.511573
O -2.813122 2.204913 -1.116645
N 4.104847 -0.326650 -0.134541
N -2.926491 -0.433408 0.312303
N -1.636511 1.742967 -1.420367
C 4.051901 -0.014158 -1.598096
C 3.642582 -1.743868 0.012952
C 3.076224 -1.031409 -2.279328
C 2.641271 -2.015969 -1.145318
C -3.609261 -1.272088 1.340128
C -3.716697 -0.382878 -0.947162
C -5.011646 -1.521587 0.744382
C -4.747565 -1.519869 -0.781186
C -1.637582 0.018851 0.481808
C 1.151605 0.550599 0.716877
C -0.945350 0.901714 -0.434831
C 0.448633 1.124847 -0.340224
C -0.863067 -0.455706 1.604027
C 0.505293 -0.201600 1.723196
H 5.085950 -0.129174 -1.973010
H 3.780021 1.048250 -1.734848
H 3.245685 -1.914194 1.028881
H 4.551024 -2.368008 -0.090397
H 3.592243 -1.570130 -3.093116
H 2.202496 -0.522929 -2.721477
H 1.610106 -1.799392 -0.815654
H 2.675590 -3.069857 -1.470937
H -3.644460 -0.748664 2.312837
H -3.063047 -2.228420 1.479590
H -3.051373 -0.520057 -1.820273
H -4.204350 0.603591 -1.059709
H -5.693228 -0.695118 1.014260
H -5.451053 -2.464432 1.108905
H -4.316346 -2.487531 -1.097664
H -5.657052 -1.335744 -1.375649
H 0.931241 1.800437 -1.053438
H -1.352171 -1.052450 2.376778
H 1.078574 -0.559030 2.585068


