%chk=000240887.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240887

0 1
S 0.687045 1.469658 -0.004507
N -4.195195 0.505782 -0.344054
N -2.530419 2.078839 -0.089733
N -2.768351 -1.544728 -0.444812
N -0.351868 -0.981856 -0.267303
N -1.105516 -3.224677 -0.394307
C -5.551298 -0.069625 -0.400734
C -2.992584 -0.199072 -0.324925
C -6.149254 -0.214271 1.009082
C -1.952422 0.802670 -0.176227
C -3.849655 1.891167 -0.179299
C -0.623260 0.330530 -0.158560
C 3.357270 1.385718 0.169602
C 2.185109 0.430617 -0.019204
C -7.568610 -0.765043 0.941115
C 4.652923 0.614599 0.160932
C -1.431402 -1.876333 -0.385728
C 5.170322 0.092023 1.355925
C 5.344344 0.410422 -1.042728
C 6.370676 -0.623218 1.344983
C 6.544407 -0.305557 -1.047529
C 7.060432 -0.823030 0.144838
H -6.190889 0.579761 -1.039455
H -5.493978 -1.068403 -0.899563
H -6.141911 0.762065 1.532649
H -5.508312 -0.885594 1.618685
H -4.608464 2.659880 -0.150247
H 3.257462 1.951331 1.121992
H 3.369752 2.160806 -0.627682
H 2.254808 -0.130868 -0.971087
H 2.135155 -0.330651 0.784346
H -8.239369 -0.107019 0.376749
H -7.993888 -0.875800 1.946834
H -7.599700 -1.754755 0.468869
H 4.636916 0.242266 2.292591
H 4.946887 0.808768 -1.974168
H 6.769528 -1.025811 2.274701
H 7.078806 -0.460227 -1.983456
H 7.995251 -1.378928 0.138947
H -1.812591 -3.890915 -0.667841
H -0.143060 -3.487620 -0.547290


%chk=000240887-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240887

0 1
S 0.667524 1.807496 -0.029294
N -4.234509 0.638853 -0.350557
N -2.640197 2.292942 -0.187584
N -2.767369 -1.350053 -0.349395
N -0.384451 -0.731576 -0.198914
N -1.062077 -2.966774 -0.336656
C -5.552880 -0.015622 -0.403683
C -3.001829 -0.012892 -0.303405
C -6.064348 -0.445130 0.991013
C -2.022445 1.027000 -0.206819
C -3.951885 2.017743 -0.271691
C -0.671934 0.593145 -0.154576
C 3.451614 1.498006 0.122419
C 2.170243 0.644532 -0.007822
C -7.445448 -1.127060 0.901346
C 4.685730 0.603612 0.135617
C -1.426498 -1.638566 -0.294493
C 5.176465 0.063121 1.352322
C 5.346005 0.261448 -1.072635
C 6.296844 -0.798099 1.362720
C 6.466895 -0.599361 -1.067330
C 6.946051 -1.133130 0.151585
H -6.265564 0.684806 -0.877761
H -5.460322 -0.902484 -1.056673
H -6.119593 0.443534 1.648979
H -5.326891 -1.136039 1.439982
H -4.744074 2.763986 -0.288479
H 3.399776 2.095157 1.052331
H 3.504107 2.210652 -0.722143
H 2.153916 0.060079 -0.940862
H 2.044191 -0.048086 0.838712
H -8.204276 -0.447993 0.468392
H -7.799889 -1.431369 1.902031
H -7.403122 -2.034144 0.269874
H 4.681242 0.324180 2.296148
H 4.982538 0.676963 -2.021009
H 6.665758 -1.202544 2.312280
H 6.967999 -0.848977 -2.009589
H 7.817202 -1.797894 0.158242
H -1.783133 -3.678242 -0.410318
H -0.076270 -3.208319 -0.299907


