%chk=000272833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272833

0 1
S 2.631899 1.152207 1.229092
O 1.030544 -2.043035 -1.199571
O 5.941421 -1.511538 -0.927647
O 5.493679 0.677618 -1.115787
O -1.765222 1.589434 -1.102331
O -3.744081 1.323004 0.858612
N 2.729303 -0.350420 -0.952386
N -0.206917 0.585542 0.230956
C 2.217681 0.993523 -0.539308
C 3.670053 -0.397321 1.341444
C 3.820244 -0.891155 -0.131924
C 0.765491 0.507421 -0.838315
C 1.387924 -0.923880 -1.033635
C 4.976553 -0.000885 1.991494
C 2.890025 -1.403968 2.165533
C 5.123842 -0.414331 -0.774203
C -1.467716 1.182525 -0.003480
C -2.358234 1.224582 1.257619
C -2.119282 2.517150 2.019464
C -4.377190 0.199289 0.350072
C -3.774915 -1.041268 0.122770
C -5.740935 0.435321 0.084028
C -4.571480 -2.075099 -0.387598
C -6.504241 -0.611819 -0.421601
C -5.925226 -1.869213 -0.655309
H 2.602879 1.843823 -1.131610
H 3.797501 -2.020727 -0.174814
H 0.343959 0.922572 -1.793932
H 5.463745 0.852624 1.490391
H 4.841834 0.301982 3.040272
H 5.697424 -0.831605 1.996692
H 2.623070 -1.008582 3.156326
H 1.954089 -1.719791 1.685504
H 3.477702 -2.316480 2.347947
H 0.116431 0.353628 1.169686
H -2.228819 0.320454 1.893920
H 6.804988 -1.295167 -1.372747
H -2.367478 3.393635 1.397722
H -1.080279 2.619391 2.351689
H -2.772189 2.575908 2.902683
H -2.721294 -1.216101 0.306551
H -6.162220 1.420694 0.267144
H -4.120041 -3.049009 -0.578929
H -7.560679 -0.453985 -0.639370
H -6.533044 -2.678646 -1.051314


%chk=000272833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000272833

0 1
S 2.649452 1.026425 1.488098
O 0.792036 -1.883778 -1.198471
O 6.033563 -1.397026 -0.825002
O 5.260255 0.760367 -1.225748
O -1.787506 1.972452 -1.221874
O -3.867259 1.509378 0.774833
N 2.610597 -0.291104 -0.865749
N -0.312077 0.879683 0.218196
C 2.213190 1.049663 -0.376285
C 3.627867 -0.667352 1.344285
C 3.752591 -0.937557 -0.224748
C 0.723293 0.711021 -0.768418
C 1.267335 -0.752211 -1.014049
C 4.979215 -0.498428 2.063844
C 2.780878 -1.784964 1.990256
C 5.055362 -0.399225 -0.815035
C -1.519023 1.515222 -0.079408
C -2.459637 1.659511 1.144956
C -2.340089 3.073917 1.731630
C -4.339264 0.241602 0.369512
C -3.529525 -0.906191 0.190926
C -5.736054 0.177031 0.146572
C -4.134724 -2.119903 -0.212684
C -6.322996 -1.039100 -0.254066
C -5.526582 -2.197130 -0.434403
H 2.707041 1.907887 -0.846992
H 3.705314 -2.025682 -0.398631
H 0.387201 1.204947 -1.697313
H 5.544705 0.365404 1.676267
H 4.816852 -0.339871 3.144013
H 5.590469 -1.411651 1.940547
H 2.522109 -1.521172 3.030049
H 1.842866 -1.962329 1.437129
H 3.353791 -2.732419 2.008841
H -0.109814 0.567930 1.173038
H -2.198512 0.893376 1.908609
H 6.885587 -1.032343 -1.190617
H -2.622899 3.814320 0.965231
H -1.306198 3.277661 2.062692
H -3.018857 3.178006 2.594345
H -2.444824 -0.875457 0.329473
H -6.332644 1.083514 0.287544
H -3.503432 -3.002834 -0.362439
H -7.404032 -1.082900 -0.427626
H -5.984823 -3.140390 -0.749530


