%chk=000233058.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000233058

0 1
S 0.473142 -1.836798 -0.507823
O 2.455964 1.972846 -0.675251
O 0.293973 -3.280277 -0.471429
O 1.319543 -1.250544 -1.522556
N 1.041463 -1.417817 1.076130
C 1.835349 -0.172148 1.286036
C 0.944336 1.021827 1.018363
C 3.112383 -0.109645 0.472250
C 1.290883 2.003341 0.079015
C 3.341689 0.916042 -0.454992
C -1.088456 -1.085787 -0.574564
C 1.485940 -2.559296 1.915854
C -0.251694 1.199006 1.733190
C 4.121053 -1.075193 0.619052
C 0.487648 3.128619 -0.175265
C 4.508059 1.004538 -1.232186
C -2.151952 -1.620385 0.109425
C -1.252109 0.080859 -1.373681
C -1.063008 2.309843 1.501398
C 5.291959 -1.011409 -0.135837
C -3.439339 -1.002253 0.038812
C -0.693725 3.270063 0.547119
C 5.480913 0.022976 -1.065239
C -3.603009 0.165828 -0.752662
C -2.477840 0.692378 -1.461836
C -4.565968 -1.535156 0.744232
C -4.893499 0.784073 -0.821337
C -5.790109 -0.922494 0.660138
C -5.954300 0.252501 -0.133108
H 2.125803 -0.139815 2.378754
H 2.556094 -2.807825 1.787928
H 0.904104 -3.471076 1.671283
H 1.305033 -2.326292 2.978352
H -0.547410 0.447617 2.467826
H 3.976743 -1.895650 1.327649
H 0.802213 3.858809 -0.917407
H 4.622536 1.816096 -1.947035
H -2.039719 -2.528423 0.711135
H -0.385487 0.477832 -1.917226
H -1.989397 2.431033 2.058740
H 6.059435 -1.772450 -0.013032
H -1.334875 4.133968 0.371626
H 6.393367 0.058040 -1.660353
H -2.611484 1.584994 -2.071226
H -4.429655 -2.435067 1.343665
H -5.011765 1.678599 -1.431069
H -6.653628 -1.319833 1.191257
H -6.939899 0.715507 -0.180913


%chk=000233058-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000233058

0 1
S 0.303311 -1.317338 -0.603888
O 2.943414 1.810497 -0.965607
O 0.330938 -2.938606 -0.811732
O 1.028847 -0.318735 -1.665584
N 0.922914 -0.955902 1.201034
C 1.997720 0.124542 1.289587
C 1.393533 1.474326 0.934560
C 3.311423 -0.117329 0.552184
C 1.866464 2.226908 -0.167741
C 3.682333 0.682809 -0.558607
C -1.511551 -0.812858 -0.488780
C 1.247775 -2.260099 1.842914
C 0.328138 2.009353 1.698109
C 4.212570 -1.138084 0.950110
C 1.282569 3.463588 -0.522944
C 4.854246 0.430447 -1.300758
C -2.438530 -1.809974 -0.227228
C -1.844248 0.548557 -0.721362
C -0.257421 3.248869 1.370918
C 5.394878 -1.400086 0.228524
C -3.826428 -1.454234 -0.165908
C 0.220593 3.973448 0.249036
C 5.705306 -0.622136 -0.913452
C -4.208276 -0.071236 -0.382848
C -3.192591 0.903341 -0.665847
C -4.843361 -2.429402 0.100758
C -5.597186 0.279221 -0.320562
C -6.187614 -2.055237 0.156385
C -6.566699 -0.690670 -0.055120
H 2.196044 0.106594 2.383294
H 2.053965 -2.835054 1.348948
H 0.343080 -2.888509 1.860783
H 1.539985 -2.037892 2.886270
H -0.054411 1.420975 2.539740
H 3.988325 -1.730638 1.843815
H 1.676264 4.001041 -1.390537
H 5.079541 1.068081 -2.160460
H -2.116000 -2.849479 -0.099577
H -1.063360 1.277781 -0.955476
H -1.079739 3.645487 1.975004
H 6.069359 -2.199094 0.552654
H -0.228966 4.935987 -0.018418
H 6.615599 -0.823450 -1.488066
H -3.487565 1.943613 -0.843672
H -4.549979 -3.473589 0.258991
H -5.889246 1.322829 -0.486750
H -6.959528 -2.804910 0.360505
H -7.625137 -0.412154 -0.009995


