%chk=000206581.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206581

0 1
S 1.433148 -0.148780 0.706283
O -0.729314 -1.486902 0.569203
O 0.942296 1.262771 0.577146
O -5.938900 0.187255 1.208348
O -1.543095 0.353545 -2.353825
N -1.150949 1.976066 -0.794094
C 1.062179 -0.922082 -0.918230
C -0.132448 -1.832835 -0.718452
C -2.036445 -1.022061 0.581542
C 3.209022 -0.063275 0.519409
C -2.519120 0.046270 -0.182300
C -2.846501 -1.663490 1.546282
C -3.841770 0.477215 0.003804
C 3.826800 1.166352 0.302691
C 3.957015 -1.229158 0.684149
C -4.633491 -0.166972 0.957836
C -4.148795 -1.234638 1.743549
C -1.685852 0.758890 -1.207958
C 5.223803 1.232412 0.239970
C 5.352708 -1.160470 0.620710
C 5.984194 0.069430 0.397703
H 1.930122 -1.471261 -1.318041
H 0.845080 -0.135486 -1.671842
H -0.870842 -1.753893 -1.540094
H 0.153785 -2.891417 -0.572865
H -2.424610 -2.484640 2.126295
H -4.231417 1.302507 -0.589614
H 3.221097 2.071675 0.186860
H 3.472323 -2.188080 0.864753
H -4.804452 -1.699059 2.479447
H 5.715702 2.188791 0.069690
H 5.948550 -2.062608 0.747005
H 7.071446 0.119701 0.349161
H -0.941274 2.116467 0.197185
H -0.451384 2.403555 -1.391941
H -6.236009 0.935304 0.633532


%chk=000206581-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206581

0 1
S 1.915221 0.176180 0.954721
O -0.926349 -0.446970 0.008531
O 1.502608 1.526712 0.048579
O -6.530572 -0.737960 0.627061
O -3.427779 2.914884 -0.834648
N -1.235199 2.240189 -0.561192
C 1.303202 -1.311417 -0.155346
C -0.133567 -1.664075 0.191547
C -2.330129 -0.532335 0.176475
C 3.771702 -0.045103 0.570981
C -3.095994 0.640926 -0.083344
C -2.969462 -1.731550 0.578900
C -4.501893 0.561664 0.067230
C 4.329079 0.864625 -0.340530
C 4.526799 -1.034005 1.228898
C -5.136676 -0.630038 0.467633
C -4.368538 -1.784712 0.727935
C -2.584374 2.004657 -0.523588
C 5.710506 0.761293 -0.627212
C 5.907954 -1.126130 0.932293
C 6.495257 -0.232029 0.005243
H 1.984041 -2.156810 0.034310
H 1.416346 -0.921589 -1.179716
H -0.492362 -2.463036 -0.491573
H -0.222776 -2.029201 1.236220
H -2.390786 -2.636877 0.782600
H -5.057577 1.482150 -0.156480
H 3.680066 1.626901 -0.790274
H 4.070277 -1.711676 1.960381
H -4.870076 -2.705356 1.039508
H 6.171822 1.456754 -1.336473
H 6.520685 -1.886141 1.428887
H 7.565569 -0.304825 -0.216703
H -0.489549 1.580838 -0.300154
H -0.954060 3.182550 -0.834233
H -6.970815 0.122611 0.416831


