%chk=000194564.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000194564

0 1
S -0.048541 -1.737181 -1.570061
S -2.613032 1.094123 -1.643292
O 2.476665 2.662968 -0.793330
O -0.248683 2.533064 -0.060314
O -1.639389 -2.452096 1.212088
O -2.589956 2.161911 2.217770
N 0.353694 0.341719 0.017169
N -2.314963 -0.331640 0.716667
C 0.016370 -1.085054 0.151355
C 1.810132 0.579476 0.294364
C 1.182715 -1.708028 0.943557
C 2.338061 -0.815090 0.598756
C -2.079369 0.978053 0.126199
C 2.584612 1.239227 -0.876736
C -0.589651 1.361514 0.018785
C -1.364833 -1.356078 0.748525
C 3.630377 -1.126824 0.439156
C 4.067277 0.966223 -0.744333
C -2.848232 2.136232 0.815370
C 4.542578 -0.124918 -0.126608
C -3.605447 -0.563219 1.419989
C -0.249021 -3.515842 -1.339434
C -3.453949 -0.447596 -2.035485
H 1.908595 1.246748 1.195478
H 1.361592 -2.768525 0.684877
H 0.974445 -1.707816 2.035204
H 2.199720 0.905374 -1.869564
H 4.039993 -2.105809 0.674452
H 4.701048 1.733439 -1.190125
H -3.946062 2.001897 0.754173
H -2.566344 3.109385 0.358262
H 5.609236 -0.326634 -0.042514
H -3.670638 0.077574 2.321830
H -3.673410 -1.620387 1.746295
H -4.458865 -0.352629 0.758065
H 1.517983 2.940911 -0.745526
H -0.883553 -3.759317 -0.470094
H 0.715884 -4.020409 -1.220695
H -0.740647 -3.918652 -2.235530
H -4.397808 -0.557976 -1.492006
H -2.826983 -1.329553 -1.840101
H -3.671772 -0.426123 -3.114305
H -1.706329 2.556656 2.396067


%chk=000194564-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000194564

0 1
S -0.089566 -1.721599 -1.669815
S -2.597532 1.061153 -1.781497
O 2.434024 2.775300 -0.600350
O -0.210965 2.584097 0.122669
O -1.656274 -2.486058 1.293851
O -2.429931 2.401167 2.156909
N 0.346647 0.334642 0.151060
N -2.318831 -0.297718 0.776177
C -0.024919 -1.085029 0.184811
C 1.820581 0.550924 0.350344
C 1.149973 -1.748689 0.948464
C 2.318917 -0.881222 0.544365
C -2.056223 0.986262 0.137359
C 2.563828 1.330056 -0.766713
C -0.562074 1.351738 0.121609
C -1.397497 -1.345903 0.794602
C 3.615222 -1.200579 0.294617
C 4.052859 1.011693 -0.716965
C -2.836919 2.165511 0.771586
C 4.535126 -0.165544 -0.224980
C -3.630041 -0.525264 1.429294
C -0.163829 -3.588285 -1.394465
C -3.508265 -0.562778 -2.032375
H 1.952864 1.144997 1.284056
H 1.271285 -2.812768 0.704657
H 0.936644 -1.682143 2.035666
H 2.154803 1.008703 -1.754995
H 3.984775 -2.221464 0.445481
H 4.706593 1.779315 -1.144601
H -3.913032 1.942670 0.792239
H -2.667897 3.052207 0.136783
H 5.609893 -0.377343 -0.247553
H -3.736812 0.144411 2.298699
H -3.651437 -1.573350 1.763399
H -4.457959 -0.351402 0.721210
H 1.471215 2.968152 -0.385827
H -0.822491 -3.799798 -0.536845
H 0.843401 -4.001511 -1.234972
H -0.598848 -4.011512 -2.313884
H -4.496829 -0.552494 -1.550182
H -2.886701 -1.399790 -1.681283
H -3.628753 -0.646738 -3.125011
H -1.581525 2.915080 2.136808


