%chk=000220023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220023

0 1
S -0.010235 -1.853306 0.319551
O 0.554887 -1.884787 1.650066
O -0.435047 -3.089416 -0.311761
N 1.162187 -1.179157 -0.757645
C -1.297921 -0.712518 0.271137
C 1.901165 0.006565 -0.490714
C -2.379718 -0.923683 -0.592697
C -1.280784 0.416169 1.098678
C 1.401494 -1.878744 -2.043568
C -3.412213 1.129530 0.184145
C -3.431667 -0.010320 -0.639797
C -2.329189 1.334857 1.056844
C 2.334985 0.832952 -1.550390
C 2.188256 0.375657 0.841171
C -4.541530 2.102988 0.146737
C 3.027970 2.011115 -1.270678
C 2.876056 1.560559 1.096276
C 3.296073 2.386988 0.048431
H -2.405550 -1.816274 -1.229332
H -0.444325 0.581063 1.787873
H 2.480455 -1.930105 -2.270757
H 0.889686 -1.370847 -2.878079
H 1.026526 -2.921432 -1.994649
H -4.270004 -0.182562 -1.312068
H -2.307728 2.210584 1.703023
H 2.127615 0.565823 -2.582251
H 1.920497 -0.278572 1.678661
H -4.222420 3.128079 0.382586
H -5.313436 1.830197 0.884322
H -5.035586 2.139930 -0.834255
H 3.359850 2.644908 -2.092809
H 3.097246 1.838341 2.127164
H 3.832806 3.307419 0.258285


%chk=000220023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220023

0 1
S 0.101219 -1.966093 0.550893
O 0.676612 -1.808697 2.062938
O -0.424335 -3.393676 -0.032227
N 1.600053 -1.424995 -0.699828
C -1.293253 -0.712591 0.328262
C 2.081912 -0.113590 -0.414815
C -2.322037 -1.024337 -0.576625
C -1.248505 0.483381 1.065209
C 1.137016 -1.742153 -2.068385
C -3.360122 1.146513 -0.028597
C -3.358159 -0.079699 -0.745796
C -2.295124 1.411575 0.873827
C 2.000368 0.965620 -1.344075
C 2.735641 0.094784 0.837777
C -4.495998 2.138792 -0.196175
C 2.575050 2.215410 -1.030374
C 3.275377 1.356734 1.150467
C 3.204201 2.422692 0.218999
H -2.321868 -1.984222 -1.103490
H -0.435842 0.672373 1.773350
H 2.023344 -1.734324 -2.728342
H 0.375475 -1.047223 -2.485142
H 0.724140 -2.764307 -2.058224
H -4.177539 -0.301284 -1.439302
H -2.284399 2.352296 1.436187
H 1.513164 0.826283 -2.314286
H 2.812474 -0.741662 1.537321
H -4.151163 3.178184 -0.057675
H -5.290783 1.954531 0.552409
H -4.960955 2.060356 -1.194035
H 2.526397 3.030673 -1.761238
H 3.773494 1.504163 2.115058
H 3.644546 3.396495 0.459434


