%chk=000291390.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291390

0 1
O -0.037015 -2.845217 -0.889596
O -5.516121 2.147050 0.194759
O 4.878035 2.564991 -1.413614
O -5.273152 1.291848 -1.778272
O 5.937388 0.764476 -0.852602
N 0.069246 -0.763451 1.064921
N -0.015008 -2.151109 1.296506
N -4.903927 1.494760 -0.634399
N 4.922297 1.436608 -0.949260
C -1.201994 -0.208602 0.567801
C 1.277811 -0.276342 0.447608
C -1.937054 0.556454 1.488458
C 1.281039 1.026442 -0.101695
C -1.662465 -0.421232 -0.740240
C 2.479762 -1.013612 0.526321
C -3.150614 1.116389 1.091599
C 2.470291 1.583743 -0.554756
C -2.876255 0.137273 -1.136701
C 3.666533 -0.453559 0.068630
C -3.611092 0.901972 -0.216924
C 3.663642 0.845306 -0.468813
C -0.064326 -3.144286 0.286072
C -0.149741 -4.537947 0.827892
H -1.559177 0.712744 2.501210
H 0.360269 1.606841 -0.172104
H -1.074498 -1.033806 -1.440663
H 2.491252 -2.020828 0.940166
H -0.039088 -2.367105 2.297017
H -3.746713 1.719077 1.787553
H 2.489297 2.594007 -0.982234
H -3.260081 -0.014992 -2.153176
H 4.607972 -1.014186 0.120738
H -1.075976 -4.715512 1.393600
H -0.147049 -5.262697 -0.007248
H 0.697513 -4.801503 1.475947


%chk=000291390-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291390

0 1
O -0.588933 -3.271769 -0.419736
O -6.039493 1.153475 0.183223
O 5.234676 2.593175 -1.258053
O -5.209080 2.031923 -1.755619
O 6.108776 0.482568 -1.213224
N 0.077575 -0.746070 0.614139
N 0.107153 -1.936393 1.360540
N -5.075676 1.367089 -0.653865
N 5.132108 1.317979 -1.064879
C -1.204513 -0.207671 0.292549
C 1.324408 -0.233515 0.151163
C -2.295038 -0.403700 1.184150
C 1.500712 1.168384 -0.039151
C -1.412182 0.492851 -0.928997
C 2.424062 -1.112937 -0.054484
C -3.564009 0.109309 0.876058
C 2.744415 1.676228 -0.442392
C -2.678122 1.010506 -1.239623
C 3.670704 -0.607306 -0.454972
C -3.744348 0.821590 -0.330634
C 3.821662 0.784067 -0.648327
C -0.251751 -3.174250 0.786938
C -0.221307 -4.338824 1.766494
H -2.142988 -0.956565 2.115092
H 0.673155 1.856104 0.154540
H -0.594746 0.593032 -1.647435
H 2.290237 -2.189378 0.074758
H 0.439662 -1.870635 2.326896
H -4.413624 -0.021815 1.550996
H 2.902914 2.748517 -0.583148
H -2.862351 1.538069 -2.178962
H 4.523387 -1.267512 -0.633030
H -1.256396 -4.669401 1.964663
H 0.308653 -5.184789 1.299253
H 0.261298 -4.098343 2.729577


