%chk=000208536.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208536

0 1
S -1.373908 -2.044909 0.640529
O 3.793734 0.672514 0.310215
O -2.189234 -1.753593 -0.530924
O -1.151325 -3.441701 0.979104
N -2.106133 -1.397765 2.050271
N -3.229526 1.438964 -0.399856
C -3.892821 0.394635 1.769310
C -2.446528 0.038361 2.156272
C -4.126863 0.426348 0.251381
C 0.115806 -1.205921 0.519313
C 0.200496 -0.003433 -0.190814
C 1.263426 -1.744732 1.128849
C -3.790333 2.817685 -0.273089
C -3.036748 1.087710 -1.840176
C 2.549900 0.123330 0.314442
C 4.061600 1.904622 -0.463521
C 1.413235 0.675423 -0.302085
C 2.483023 -1.092785 1.035933
C 5.341409 2.403213 0.187707
C 4.225114 1.521435 -1.924215
H -4.601915 -0.322265 2.225427
H -4.139711 1.382333 2.206896
H -2.271364 0.337930 3.217464
H -1.739303 0.645531 1.544547
H -5.202455 0.602979 0.043845
H -3.886999 -0.582212 -0.176323
H -2.754521 -2.000215 2.566763
H -0.697122 0.417180 -0.668372
H 1.192952 -2.694116 1.675477
H -3.895565 3.066149 0.794366
H -4.765845 2.966615 -0.758690
H -3.077554 3.535274 -0.707874
H -3.946997 1.133493 -2.454181
H -2.642137 0.050779 -1.899769
H -2.288276 1.761196 -2.280211
H 3.213767 2.605095 -0.302914
H 1.464243 1.610054 -0.850172
H 3.384557 -1.489731 1.496843
H 5.726710 3.296626 -0.315514
H 5.181597 2.647328 1.246477
H 6.128868 1.636157 0.160790
H 4.528655 2.378658 -2.535802
H 3.297363 1.118203 -2.350280
H 4.989528 0.741257 -2.049240


%chk=000208536-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208536

0 1
S -1.453165 -2.171326 0.651893
O 3.862025 0.686522 0.351226
O -2.280465 -1.906404 -0.734690
O -1.164788 -3.705444 1.111974
N -2.202703 -1.419886 2.166907
N -3.220017 1.351498 -0.482035
C -3.972788 0.430870 1.756417
C -2.552967 0.020716 2.213308
C -4.174070 0.454628 0.225381
C 0.159383 -1.230238 0.552429
C 0.210947 -0.040865 -0.190545
C 1.278585 -1.784154 1.202450
C -3.470115 2.784656 -0.216914
C -3.200311 1.063449 -1.937210
C 2.595572 0.102830 0.357960
C 4.109601 1.926848 -0.447459
C 1.446583 0.635506 -0.288816
C 2.505465 -1.108421 1.098265
C 5.385170 2.528118 0.149365
C 4.247691 1.572576 -1.937959
H -4.723187 -0.255911 2.199058
H -4.186632 1.430687 2.184905
H -2.402056 0.315572 3.271669
H -1.808661 0.579329 1.617508
H -5.234867 0.744883 0.009306
H -4.017865 -0.561837 -0.177613
H -2.942061 -2.074040 2.477239
H -0.691957 0.355621 -0.669586
H 1.184775 -2.724930 1.753982
H -3.373373 3.004845 0.860523
H -4.487559 3.117779 -0.546258
H -2.721947 3.395841 -0.753356
H -4.182440 1.262538 -2.434464
H -2.936100 0.003168 -2.089193
H -2.438896 1.694586 -2.432443
H 3.259231 2.620743 -0.284034
H 1.495848 1.563647 -0.863968
H 3.408406 -1.494078 1.579905
H 5.644720 3.465545 -0.374398
H 5.248495 2.748573 1.221508
H 6.227247 1.822135 0.044007
H 4.418090 2.488894 -2.532152
H 3.345772 1.071617 -2.329372
H 5.108187 0.897012 -2.086521


