%chk=000263067.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000263067

0 1
S 4.011745 -1.653857 -0.756649
O 4.188401 -3.054033 -0.413767
O 4.390195 -1.184091 -2.070777
O -1.878432 1.777847 -0.830550
O -4.023624 -1.132446 1.142765
N 4.937753 -0.787643 0.419913
N -1.587011 -0.107632 0.476464
C 2.394684 -1.183337 -0.420319
C 5.101379 0.625075 0.421799
C 1.597826 -1.984674 0.409544
C 1.857308 -0.017693 -0.980677
C -0.246399 -0.439283 0.132762
C 5.589274 -1.569648 1.498751
C 0.285274 -1.626027 0.693323
C 0.545331 0.362548 -0.710481
C 5.298569 1.321590 1.634309
C 5.046879 1.343818 -0.791943
C -3.724794 1.141621 0.535582
C -2.323297 0.981599 -0.030291
C 5.420591 2.711384 1.622505
C 5.163941 2.732404 -0.777910
C 5.346779 3.425621 0.423557
C -4.541591 -0.123647 0.699105
C -5.986315 -0.072675 0.356072
C -6.537201 0.940380 -0.444603
C -6.813854 -1.100088 0.842973
C -7.899778 0.931821 -0.746042
C -8.177897 -1.103236 0.543721
C -8.721084 -0.088007 -0.250053
H 2.008980 -2.910037 0.832897
H 2.468990 0.606029 -1.644877
H 5.023953 -1.499431 2.443055
H 6.619091 -1.214768 1.677260
H 5.655091 -2.640422 1.217143
H -0.324135 -2.259690 1.334858
H 0.134880 1.276184 -1.156264
H 5.347123 0.787886 2.578533
H 4.960916 0.824096 -1.752877
H -2.086461 -0.787205 1.089051
H -4.250324 1.894341 -0.103277
H -3.651003 1.640593 1.532188
H 5.571540 3.243348 2.561536
H 5.121769 3.281452 -1.719033
H 5.437436 4.507730 0.422977
H -5.898540 1.734899 -0.840234
H -6.376739 -1.896644 1.453193
H -8.324342 1.717761 -1.370294
H -8.816600 -1.899616 0.925493
H -9.786077 -0.091496 -0.486210


%chk=000263067-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000263067

0 1
S 4.357260 -1.628522 -0.867038
O 4.456632 -3.236853 -0.622713
O 4.975374 -0.912351 -2.188969
O -1.709203 1.970714 -1.332658
O -3.797488 -1.237534 0.583666
N 5.308784 -0.811241 0.733347
N -1.535415 -0.179949 -0.386554
C 2.540301 -1.153103 -0.742548
C 5.240743 0.612759 0.710058
C 1.660008 -2.067980 -0.136062
C 2.123553 0.090637 -1.248095
C -0.154340 -0.455991 -0.530141
C 4.804769 -1.534850 1.921922
C 0.303601 -1.711928 -0.035918
C 0.763433 0.445742 -1.141859
C 4.555200 1.380550 1.697815
C 5.951254 1.288945 -0.327817
C -3.745122 0.968865 -0.494189
C -2.224850 0.956794 -0.772629
C 4.597330 2.789802 1.654085
C 5.958032 2.695785 -0.377262
C 5.287035 3.454814 0.613613
C -4.438615 -0.197030 0.217755
C -5.906339 -0.096773 0.477909
C -6.677618 1.035919 0.093674
C -6.548108 -1.183967 1.135339
C -8.060913 1.076926 0.363112
C -7.929121 -1.140145 1.403181
C -8.689223 -0.008823 1.017608
H 2.026558 -3.038407 0.213467
H 2.840519 0.760285 -1.733246
H 3.765856 -1.282007 2.227563
H 5.485369 -1.307322 2.762243
H 4.865526 -2.615268 1.711077
H -0.408988 -2.409214 0.419724
H 0.400883 1.401078 -1.524538
H 4.009665 0.883195 2.506059
H 6.487900 0.694456 -1.071599
H -2.134946 -0.899753 0.067363
H -4.232268 1.123967 -1.477274
H -3.941084 1.902868 0.067398
H 4.083841 3.370200 2.429046
H 6.503618 3.203131 -1.180436
H 5.310074 4.549504 0.580065
H -6.210072 1.885643 -0.414067
H -5.939924 -2.047526 1.422994
H -8.649385 1.950866 0.064918
H -8.415655 -1.980522 1.909208
H -9.764243 0.026314 1.225605


