%chk=000259389.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259389

0 1
O 3.071027 -0.697298 0.723063
O 1.456854 -1.333385 2.148157
O 4.423204 0.354314 -0.734003
N 0.378162 0.812998 -1.604502
N 1.514184 1.270313 -1.609844
C 1.096899 0.648376 0.694073
C -0.137726 0.347128 -0.245046
C 2.158298 1.273874 -0.249939
C -0.488607 -1.129955 -0.281445
C -1.370773 1.182210 0.070616
C 1.777562 -0.569138 1.295011
C 3.363383 0.335438 -0.198197
C -1.299470 -1.659827 0.736256
C -1.568084 1.766265 1.329191
C -0.016701 -1.972513 -1.297619
C -2.351174 1.335417 -0.923386
C -1.626696 -3.017153 0.738421
C -2.724988 2.506219 1.588043
C -0.350121 -3.330839 -1.292107
C -3.504693 2.078828 -0.661598
C -1.152474 -3.855942 -0.275789
C -3.694164 2.666246 0.593223
H 0.799344 1.337583 1.521055
H 2.460813 2.316371 0.009265
H -1.672289 -1.015585 1.533384
H -0.823566 1.646158 2.118209
H 0.605232 -1.587609 -2.106823
H -2.212339 0.874039 -1.904401
H -2.249447 -3.422927 1.534979
H -2.871032 2.957287 2.568865
H 0.021766 -3.980216 -2.084315
H -4.258815 2.198270 -1.439442
H -1.406078 -4.915294 -0.271388
H -4.594590 3.244746 0.795433


%chk=000259389-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259389

0 1
O 3.006537 -0.749755 0.670055
O 1.416299 -0.910591 2.379395
O 4.301643 0.059638 -1.105311
N 0.204700 0.712373 -1.729517
N 1.410513 1.087964 -1.879066
C 1.114797 0.767203 0.557103
C -0.192501 0.368741 -0.267740
C 2.142375 1.176499 -0.506327
C -0.507729 -1.146099 -0.260509
C -1.406532 1.228982 0.104972
C 1.773487 -0.368779 1.334614
C 3.287018 0.161184 -0.418114
C -1.593259 -1.666899 0.484498
C -1.667114 1.572545 1.456265
C 0.317323 -2.043632 -0.989251
C -2.323647 1.634058 -0.898196
C -1.840199 -3.056729 0.513481
C -2.812465 2.326507 1.796583
C 0.066214 -3.431579 -0.963401
C -3.463738 2.393687 -0.555935
C -1.011770 -3.945048 -0.207907
C -3.712773 2.744967 0.790568
H 0.871214 1.575484 1.261413
H 2.540408 2.201978 -0.445562
H -2.249021 -0.992609 1.043024
H -0.997494 1.230923 2.255460
H 1.145032 -1.672739 -1.604166
H -2.134791 1.358699 -1.939666
H -2.679586 -3.443882 1.101292
H -3.001943 2.579147 2.845566
H 0.712280 -4.108215 -1.532678
H -4.157943 2.710435 -1.341999
H -1.205526 -5.022927 -0.185097
H -4.598908 3.332867 1.053553


