%chk=000265544.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000265544

0 1
S 2.983887 3.165642 -0.851183
S 4.391734 -0.380210 -0.384156
O 1.861400 2.828379 0.361291
O 2.802273 -0.955713 -0.422802
O -5.311643 -2.011796 -0.190477
O 2.415425 4.251693 -1.612099
O 3.238957 1.936226 -1.586273
O 5.147487 -1.412671 0.284454
O 4.386768 0.921746 0.261478
O -4.401312 -0.368655 -1.445614
N 0.217382 0.248030 0.873303
C 0.376350 1.032945 -0.385305
C 1.520533 -0.126462 1.480467
C -0.873401 -0.646429 1.001851
C 0.513282 2.520833 -0.026715
C 2.197218 -1.338330 0.819951
C -2.011028 -0.524102 0.170442
C -0.904175 -1.602644 2.048625
C -3.131965 -1.326354 0.393170
C -2.034381 -2.390478 2.252504
C -3.158498 -2.265018 1.430191
C -4.296304 -1.142372 -0.519303
C 4.294811 3.698709 0.124822
C 4.719419 -0.351077 -2.070089
C -6.546913 -1.943879 -0.972179
C -7.381234 -0.767081 -0.511268
H 1.271851 0.683079 -0.963318
H -0.497716 0.894493 -1.063940
H 2.192045 0.773399 1.419846
H 1.368712 -0.317943 2.566830
H 0.199966 3.179699 -0.858540
H -0.063505 2.781075 0.886693
H 2.947598 -1.810841 1.482526
H 1.462782 -2.109104 0.504867
H -2.027251 0.199946 -0.650366
H -0.051596 -1.717169 2.714437
H -2.042424 -3.116936 3.065945
H -4.042471 -2.882542 1.588343
H 5.007517 4.354026 -0.393586
H 3.973906 4.250155 1.024591
H 4.894301 2.845537 0.529372
H 4.224045 -1.164794 -2.626632
H 4.338224 0.580073 -2.560082
H 5.785663 -0.415392 -2.325782
H -6.998110 -2.922831 -0.728467
H -6.283440 -1.885098 -2.043402
H -8.378716 -0.778776 -0.964984
H -7.506686 -0.764299 0.579131
H -6.904463 0.186907 -0.784165


%chk=000265544-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000265544

0 1
S 2.626560 3.448345 -1.004519
S 4.963861 -0.454375 -0.035239
O 1.328044 2.696293 0.114476
O 3.312290 -1.286232 -0.338134
O -5.534066 -1.712283 -0.021260
O 2.020398 4.772538 -1.703362
O 3.267056 2.303384 -1.967929
O 6.005215 -1.546769 0.540881
O 4.748913 0.915181 0.818360
O -4.445976 -0.125789 -1.342175
N 0.420136 -0.294419 0.399763
C 0.527928 0.517956 -0.823567
C 1.608633 -0.394997 1.262319
C -0.780693 -0.943211 0.739642
C 0.224757 2.016101 -0.620363
C 2.551679 -1.563996 0.910423
C -1.995660 -0.669550 0.043201
C -0.837178 -1.910257 1.796492
C -3.197433 -1.335359 0.376824
C -2.044990 -2.557208 2.126931
C -3.238458 -2.287684 1.426076
C -4.411758 -0.977655 -0.416296
C 3.804091 3.864707 0.417822
C 5.264718 -0.079365 -1.866163
C -6.806961 -1.417526 -0.745495
C -7.540791 -0.240288 -0.096409
H 1.547401 0.414771 -1.232353
H -0.157138 0.117440 -1.593062
H 2.177845 0.547490 1.197151
H 1.291786 -0.493668 2.317355
H 0.042514 2.526788 -1.587647
H -0.654391 2.172718 0.029469
H 3.254214 -1.781176 1.741039
H 1.992370 -2.486053 0.671648
H -2.049397 0.070027 -0.760375
H 0.064292 -2.176917 2.355969
H -2.045391 -3.292484 2.939467
H -4.175949 -2.790965 1.671077
H 4.585087 4.500814 -0.021720
H 3.194499 4.393791 1.161628
H 4.183291 2.890683 0.765575
H 5.093057 -1.027248 -2.392434
H 4.536319 0.707657 -2.118362
H 6.307958 0.260113 -1.930887
H -7.376006 -2.357388 -0.661545
H -6.569136 -1.206758 -1.802935
H -8.519147 -0.092246 -0.590593
H -7.720552 -0.430933 0.975759
H -6.957537 0.689595 -0.202117


