%chk=000201745.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201745

0 1
O 1.418689 0.059083 0.438994
O -1.134283 2.343369 1.266605
N -4.629857 -0.304479 -0.327463
N -1.113642 0.066736 0.989101
C -3.154763 -0.072009 -0.434710
C -5.357455 0.985883 -0.074453
C -5.170157 -1.008958 -1.537145
C -2.588227 -0.071439 1.003234
C -6.730920 0.696668 0.532327
C -4.746587 -2.478623 -1.523455
C -0.513490 1.309240 1.075618
C 1.015014 1.340289 0.983922
C 2.777015 -0.186680 0.313936
C 5.420551 -0.972192 -0.056622
C 3.798499 0.705352 0.645733
C 3.043228 -1.470389 -0.203583
C 5.124588 0.296871 0.454519
C 4.367365 -1.850665 -0.384054
C 6.835509 -1.406904 -0.259976
H -2.683970 -0.889215 -1.022305
H -2.889253 0.875080 -0.951403
H -4.761318 1.591230 0.646752
H -5.463921 1.606706 -0.989902
H -6.282129 -0.951963 -1.498877
H -4.860893 -0.528341 -2.490098
H -3.033788 0.765664 1.593115
H -2.859170 -1.015218 1.526448
H -7.404793 0.214599 -0.184546
H -6.643115 0.019349 1.392950
H -7.208950 1.619178 0.877287
H -5.265180 -3.043901 -2.304224
H -4.983738 -2.942953 -0.556276
H -3.669048 -2.598495 -1.680225
H -0.564757 -0.759824 0.754150
H 1.457656 1.479868 1.987535
H 1.340938 2.148411 0.302500
H 3.592577 1.694372 1.040978
H 2.219289 -2.134065 -0.451946
H 5.931052 0.983894 0.709799
H 4.594287 -2.839095 -0.783140
H 7.031558 -1.646617 -1.314897
H 7.561901 -0.638314 0.033883
H 7.065189 -2.306702 0.328511


%chk=000201745-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201745

0 1
O 1.488093 -0.224631 0.533450
O -1.234387 2.087036 1.230282
N -4.742615 -0.247867 -0.419507
N -1.127521 -0.202947 0.756086
C -3.268814 -0.200707 -0.564082
C -5.315045 1.069136 -0.020057
C -5.442413 -0.866437 -1.575429
C -2.581283 -0.420463 0.808930
C -6.628710 0.937485 0.773815
C -5.289766 -2.399048 -1.617337
C -0.574386 1.035126 0.959369
C 0.954263 1.105207 0.853645
C 2.885872 -0.357453 0.388415
C 5.675879 -0.835522 0.051541
C 3.803817 0.707869 0.531147
C 3.349217 -1.659035 0.079843
C 5.186064 0.455062 0.360635
C 4.727729 -1.887009 -0.084899
C 7.161022 -1.099352 -0.129444
H -2.943552 -0.992811 -1.263443
H -2.916722 0.770081 -0.985477
H -4.567674 1.586258 0.609754
H -5.474800 1.724637 -0.913048
H -6.516981 -0.624470 -1.483294
H -5.102399 -0.425188 -2.547031
H -3.000283 0.290812 1.541280
H -2.789950 -1.443819 1.165912
H -7.422959 0.446589 0.182060
H -6.462748 0.335525 1.684125
H -7.001074 1.935793 1.070805
H -5.843034 -2.820839 -2.477397
H -5.684817 -2.844125 -0.687521
H -4.232215 -2.705050 -1.718846
H -0.484312 -0.966946 0.532008
H 1.354907 1.468357 1.820440
H 1.217399 1.835063 0.062993
H 3.468561 1.721424 0.770157
H 2.622375 -2.470674 -0.025729
H 5.892771 1.286044 0.472547
H 5.076222 -2.899372 -0.323606
H 7.380874 -1.496772 -1.138350
H 7.753826 -0.178048 0.003464
H 7.531070 -1.844119 0.600392


