%chk=000244103.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244103

0 1
S -2.208289 2.860817 0.108544
S -2.745054 -3.096390 -1.480474
O 2.264177 2.028860 0.016678
N -0.016387 0.766119 0.393785
N -1.328923 -1.033615 -0.498046
N -3.643679 -0.643421 -1.161870
C 1.192708 0.007412 0.523083
C 2.432116 0.698223 0.343430
C -1.205636 0.301154 -0.135140
C 1.227769 -1.343618 0.876355
C -2.324417 1.176507 -0.277032
C 3.652737 0.047801 0.507098
C 2.458346 -1.997973 1.035331
C 3.656018 -1.311865 0.851547
C -3.517865 0.658002 -0.796393
C -2.529651 -1.426280 -0.989173
C 3.452884 2.832190 -0.179847
C -2.641108 2.913866 1.866503
C -1.147829 -3.862222 -1.158749
H 0.099301 1.790566 0.483623
H 0.296040 -1.896607 1.024284
H 4.593620 0.570839 0.367807
H 2.468116 -3.052000 1.306680
H 4.607588 -1.827831 0.975628
H -4.408338 1.289445 -0.932537
H 4.038988 2.442592 -1.017427
H 4.036357 2.879774 0.743902
H 3.018725 3.810996 -0.425561
H -1.971182 2.295850 2.472680
H -3.670315 2.582358 2.039650
H -2.552544 3.955898 2.198542
H -0.958178 -3.973435 -0.084258
H -0.315727 -3.277891 -1.579774
H -1.150569 -4.854720 -1.626669


%chk=000244103-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244103

0 1
S -2.035777 2.912613 -0.319246
S -3.152186 -3.323056 -0.972549
O 2.099737 2.140300 0.386360
N 0.035712 0.616200 -0.083100
N -1.483140 -1.189605 -0.493622
N -3.838676 -0.740966 -0.966575
C 1.249396 -0.072312 0.144271
C 2.387166 0.760081 0.402474
C -1.233077 0.154359 -0.355737
C 1.420659 -1.476670 0.141846
C -2.309421 1.104860 -0.499964
C 3.655402 0.201647 0.647287
C 2.695799 -2.034884 0.391814
C 3.809225 -1.206454 0.642102
C -3.579527 0.594748 -0.814020
C -2.759248 -1.558099 -0.783875
C 3.204674 3.074741 0.600976
C -2.182273 3.064998 1.570874
C -1.470968 -4.104769 -0.672137
H 0.123504 1.644488 -0.073199
H 0.550925 -2.101757 -0.059106
H 4.519213 0.844279 0.841822
H 2.813045 -3.123770 0.386720
H 4.795223 -1.643066 0.832506
H -4.426877 1.274756 -0.950555
H 3.983644 2.954071 -0.175956
H 3.652580 2.937579 1.603911
H 2.756178 4.076056 0.526283
H -1.436374 2.420276 2.059715
H -3.199614 2.787374 1.882319
H -1.984139 4.121723 1.809434
H -1.125726 -3.875798 0.346396
H -0.748079 -3.734152 -1.412875
H -1.627183 -5.188387 -0.792393


