%chk=000272990.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000272990

0 1
S 3.170956 -0.533223 -2.381184
P 2.280939 -0.598986 -0.713431
O 2.468470 -2.048301 0.013142
O 2.703693 0.440284 0.492737
N 0.555097 -0.306491 -0.787735
N 0.074563 3.041323 -0.334450
C -0.120188 0.483435 0.277471
C -1.581564 0.118985 0.452820
C -2.278805 -0.534353 -0.584208
C -0.209964 -0.841149 -1.850462
C -1.557584 -0.929759 -1.785115
C -2.241448 0.464685 1.640461
C -3.647109 -0.824260 -0.415624
C -0.021263 1.922142 -0.072246
C -3.594847 0.168605 1.796839
C -4.296179 -0.472541 0.765043
C 1.967403 -2.220244 1.379773
C 3.465415 1.639569 0.109941
C 2.605967 -3.526341 1.809598
C 3.366140 2.513416 1.343269
H 0.428054 0.337760 1.259925
H 0.353341 -1.192351 -2.728920
H -2.134649 -1.319510 -2.620115
H -1.703081 0.973772 2.438847
H -4.193340 -1.324223 -1.213649
H -4.109961 0.439719 2.716135
H -5.355622 -0.695496 0.890427
H 2.287738 -1.371314 2.012941
H 0.863830 -2.291182 1.332491
H 4.504523 1.319311 -0.100119
H 3.013971 2.119187 -0.779508
H 2.234477 -3.857517 2.785388
H 2.401453 -4.322166 1.076948
H 3.699893 -3.437677 1.867505
H 4.080166 3.345996 1.297453
H 2.362537 2.945430 1.459218
H 3.579179 1.938366 2.255492


%chk=000272990-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000272990

0 1
S 3.312350 -0.603395 -2.506860
P 2.323785 -0.562203 -0.708526
O 2.548056 -2.021923 0.190615
O 2.727780 0.640511 0.480389
N 0.565623 -0.283984 -0.791509
N -0.146344 3.129460 -0.557941
C -0.138225 0.551276 0.218891
C -1.560205 0.033819 0.463113
C -2.264879 -0.545090 -0.634866
C -0.172669 -0.730864 -1.910043
C -1.540047 -0.805252 -1.878469
C -2.186819 0.204637 1.713481
C -3.623507 -0.917192 -0.447097
C -0.158527 1.983656 -0.225206
C -3.538245 -0.174952 1.887664
C -4.255503 -0.727937 0.799449
C 1.822918 -2.221003 1.485770
C 3.468440 1.871593 0.044013
C 2.212268 -3.614879 1.967697
C 3.782150 2.648740 1.317241
H 0.441991 0.535984 1.157634
H 0.424735 -1.021786 -2.779831
H -2.079011 -1.140431 -2.768438
H -1.633852 0.655546 2.546765
H -4.175474 -1.365733 -1.281210
H -4.028691 -0.030799 2.855905
H -5.305119 -1.014356 0.927762
H 2.142270 -1.434944 2.196194
H 0.732388 -2.143620 1.304239
H 4.382395 1.557539 -0.492178
H 2.823201 2.449772 -0.642699
H 1.707162 -3.834552 2.926692
H 1.913314 -4.378235 1.230075
H 3.302233 -3.683259 2.120235
H 4.344481 3.564651 1.058033
H 2.855435 2.950113 1.834362
H 4.396339 2.043995 2.005753


