%chk=000278474.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278474

0 1
O 2.592246 -2.047693 0.003465
O -1.964161 0.988261 -1.932693
O -0.559096 -0.719873 -2.275533
N -3.156978 1.118439 1.086425
N 3.636959 1.464521 -0.487031
C 0.260846 0.903319 0.466054
C -1.014615 0.032131 0.042848
C -0.886952 -1.428225 0.498043
C 1.523470 0.124486 0.114588
C 0.236130 1.123506 1.984512
C 0.211815 2.243877 -0.269336
C 1.521822 -1.236424 0.205491
C 0.326704 -2.005736 0.547930
C -1.110930 0.009479 -1.493235
C -2.140606 -2.155404 0.820317
C -2.216230 0.641634 0.617109
C 2.683919 0.863464 -0.217219
H -0.573773 1.793146 2.298791
H 0.130040 0.185109 2.540312
H 1.173745 1.586575 2.323421
H -0.769684 2.729825 -0.187015
H 0.947935 2.951274 0.138552
H 0.435615 2.147683 -1.339558
H 0.482689 -3.053750 0.815027
H -2.577799 -1.809615 1.772995
H -1.988780 -3.241340 0.920582
H -2.915248 -2.018269 0.048587
H 3.416256 -1.553804 -0.271028
H -2.048538 1.008204 -2.928099


%chk=000278474-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278474

0 1
O 2.653158 -2.043424 0.009127
O -2.055543 0.982310 -1.973002
O -0.542375 -0.748877 -2.275300
N -3.200832 1.139817 1.153381
N 3.766389 1.363786 -0.481462
C 0.248869 0.921947 0.458622
C -1.035970 0.043278 0.042062
C -0.908210 -1.430568 0.516242
C 1.520339 0.131904 0.089301
C 0.245947 1.145473 2.001230
C 0.222378 2.297701 -0.253032
C 1.532074 -1.248319 0.197032
C 0.330795 -2.000655 0.537203
C -1.164104 0.015808 -1.516072
C -2.170207 -2.198920 0.812096
C -2.239514 0.664825 0.633181
C 2.729509 0.815077 -0.218178
H -0.613073 1.764654 2.313674
H 0.212440 0.189819 2.552629
H 1.172616 1.673299 2.286406
H -0.725609 2.825555 -0.051910
H 1.051098 2.922406 0.122911
H 0.345737 2.206235 -1.345938
H 0.460959 -3.060680 0.775979
H -2.724426 -1.758518 1.662352
H -1.946248 -3.251878 1.048123
H -2.862224 -2.178710 -0.053288
H 3.451055 -1.500062 -0.230743
H -2.098227 0.961517 -2.968324


