%chk=000242210.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000242210

0 1
O 2.880428 -1.015295 -0.196943
N -0.302322 -0.214102 -1.221975
N -0.739676 3.955960 1.376253
C -0.182899 -1.539948 -0.546937
C -1.578250 0.038068 -1.946441
C 0.264511 0.881662 -0.472967
C -0.945978 -1.678622 0.781730
C -2.881816 0.036382 -1.129706
C 1.679099 0.994340 -0.421972
C -0.601228 -3.001937 1.475619
C -4.104232 0.211853 -2.037203
C -0.531530 1.857681 0.147067
C 2.588554 0.048339 -1.147818
C 2.250873 2.048160 0.304397
C 0.067719 2.929335 0.833937
C -1.377599 -3.175172 2.779383
C -5.404996 0.217747 -1.237076
C 1.472297 3.015651 0.932900
C 3.788148 -2.018137 -0.717283
C 3.879705 -3.046013 0.398311
H 0.910283 -1.715370 -0.357527
H -0.514732 -2.317073 -1.266556
H -1.638789 -0.742821 -2.740012
H -1.470971 1.012951 -2.475740
H -2.040359 -1.614878 0.603605
H -0.697297 -0.828255 1.447037
H -2.850648 0.848036 -0.370692
H -2.967613 -0.907837 -0.548740
H 0.487780 -3.040360 1.682454
H -0.813618 -3.851896 0.798501
H -4.134743 -0.599829 -2.790904
H -4.015920 1.155282 -2.611853
H -1.618740 1.785516 0.095247
H 2.109686 -0.393762 -2.042350
H 3.539504 0.528076 -1.441476
H 3.338699 2.114771 0.375357
H -1.159224 -2.366384 3.486484
H -1.118972 -4.119163 3.271552
H -2.459695 -3.178192 2.608662
H -5.542791 -0.717860 -0.683145
H -6.273149 0.339938 -1.894690
H -5.428145 1.036176 -0.508839
H 1.941901 3.828370 1.475193
H -1.705287 3.728667 1.557601
H -0.330424 4.516776 2.108146
H 4.761188 -1.541286 -0.928931
H 3.370377 -2.441810 -1.646984
H 4.183188 -2.568542 1.340850
H 2.904803 -3.513210 0.587376
H 4.601700 -3.833685 0.163397


%chk=000242210-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000242210

0 1
O 2.795208 -1.171450 0.095050
N -0.483062 -0.066763 -1.047799
N -0.648149 4.344256 1.093400
C -0.296126 -1.467878 -0.587902
C -1.708921 0.205782 -1.825808
C 0.201702 1.000945 -0.403622
C -0.753784 -1.739370 0.869150
C -3.077936 -0.018122 -1.123508
C 1.631550 0.989275 -0.233977
C -0.513174 -3.209291 1.278795
C -4.259132 0.360062 -2.046134
C -0.528266 2.138317 0.043627
C 2.531756 -0.047179 -0.852147
C 2.234076 2.088854 0.425934
C 0.103874 3.243129 0.670966
C -0.936652 -3.502875 2.734611
C -5.636063 0.114515 -1.391740
C 1.511065 3.203487 0.883611
C 3.714808 -2.160254 -0.486877
C 3.958673 -3.242434 0.565597
H 0.766887 -1.754346 -0.647364
H -0.857813 -2.118314 -1.287840
H -1.687764 -0.443706 -2.727986
H -1.653710 1.248898 -2.190066
H -1.824667 -1.484973 0.994142
H -0.181703 -1.073234 1.543835
H -3.131282 0.572048 -0.187314
H -3.175159 -1.081724 -0.828242
H 0.563991 -3.442417 1.153024
H -1.064506 -3.883187 0.589685
H -4.188239 -0.222183 -2.988205
H -4.171642 1.427751 -2.335740
H -1.618812 2.149254 -0.058021
H 2.084291 -0.453811 -1.785087
H 3.511242 0.411338 -1.107732
H 3.324161 2.076661 0.553573
H -0.376818 -2.862924 3.442020
H -0.747716 -4.557553 3.008735
H -2.014775 -3.302604 2.882962
H -5.762844 -0.951389 -1.124064
H -6.463196 0.393423 -2.070335
H -5.744908 0.706873 -0.463678
H 2.021732 4.039189 1.376011
H -1.651796 4.380040 0.944340
H -0.205277 5.115435 1.583130
H 4.669651 -1.663287 -0.773308
H 3.271494 -2.595522 -1.412710
H 4.392543 -2.798558 1.478182
H 3.009611 -3.734886 0.841766
H 4.654373 -4.011001 0.181360


