%chk=000268196.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268196

0 1
O 2.983391 1.766724 0.061773
O 1.010201 -3.077414 0.662624
O 1.050595 0.719518 0.709234
O -0.885708 -3.631784 -0.496788
N 1.078559 2.564083 -0.766716
N -0.770338 -1.751717 0.929246
C 4.006103 -0.870712 -1.086510
C 4.731621 0.165833 -0.219092
C 3.527749 -2.074844 -0.268162
C 3.812791 0.800620 0.826809
C 2.658731 -3.031497 -1.094804
C 4.539095 1.654211 1.849911
C 1.834812 -3.939100 -0.185086
C 1.618595 1.582837 0.068507
C -0.306599 -2.889416 0.267035
C -0.312867 2.712938 -1.077004
C -2.142969 -1.361077 1.007721
C -0.687328 3.843562 -1.831113
C -1.271451 1.773946 -0.665871
C -2.452122 -0.256654 1.830029
C -3.155603 -2.031610 0.300084
C -2.031336 4.018399 -2.164774
C -2.609529 1.971406 -1.010244
C -2.994420 3.089013 -1.757929
C -3.777154 0.165681 1.930870
C -4.474034 -1.590216 0.418695
C -4.791090 -0.494329 1.227625
H 3.143072 -0.387097 -1.588683
H 4.678125 -1.206100 -1.899641
H 5.149400 0.961368 -0.870543
H 5.600930 -0.297903 0.286838
H 2.930709 -1.715353 0.602522
H 4.390939 -2.617527 0.158766
H 3.133237 0.053744 1.303569
H 1.974778 -2.455025 -1.751993
H 3.283236 -3.643708 -1.772624
H 3.830943 2.142713 2.533082
H 5.227973 1.056616 2.458038
H 5.119100 2.455657 1.373246
H 1.192023 -4.643855 -0.743988
H 2.440099 -4.478960 0.564447
H 1.732054 3.230160 -1.191700
H -0.069822 -1.147599 1.391263
H 0.050142 4.574044 -2.151354
H -0.978256 0.895973 -0.083561
H -1.669543 0.265191 2.378236
H -2.914724 -2.888721 -0.336947
H -2.329757 4.889395 -2.748018
H -3.355932 1.240712 -0.688398
H -4.038837 3.234173 -2.023233
H -4.021757 1.017834 2.564898
H -5.262180 -2.108923 -0.127538
H -5.821450 -0.159808 1.314547


%chk=000268196-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000268196

0 1
O 2.782859 1.568358 0.008492
O 0.867360 -2.465320 -0.554920
O 0.592785 0.834619 0.491632
O -0.851470 -3.974719 0.005047
N 1.069563 2.553184 -1.063628
N -0.873741 -1.678373 0.637245
C 4.361941 -0.862786 -0.841357
C 4.649357 0.050430 0.375802
C 3.740343 -2.226755 -0.446654
C 3.376508 0.624484 1.025325
C 2.975165 -2.929697 -1.603942
C 3.631898 1.417783 2.311775
C 1.667934 -3.576337 -1.129231
C 1.391674 1.585318 -0.133130
C -0.363873 -2.815285 0.041892
C -0.213326 2.926339 -1.560033
C -2.113991 -1.549358 1.316936
C -0.254618 3.997757 -2.492403
C -1.416834 2.282310 -1.172966
C -2.400980 -0.286060 1.906349
C -3.058161 -2.606306 1.422936
C -1.485805 4.421714 -3.031272
C -2.642045 2.719924 -1.720978
C -2.689742 3.785464 -2.648270
C -3.618817 -0.083090 2.585874
C -4.272376 -2.383519 2.107988
C -4.565981 -1.129223 2.691070
H 3.668993 -0.327930 -1.519912
H 5.297284 -1.022412 -1.412951
H 5.299248 0.896825 0.079393
H 5.197703 -0.517713 1.154320
H 3.017992 -2.058664 0.372961
H 4.527815 -2.892695 -0.041632
H 2.622335 -0.163406 1.203204
H 2.723893 -2.189254 -2.387456
H 3.596182 -3.708095 -2.087941
H 2.691703 1.835547 2.711284
H 4.065724 0.755317 3.082992
H 4.338575 2.246809 2.128966
H 1.101270 -4.041242 -1.956269
H 1.833578 -4.340155 -0.345769
H 1.875371 3.060556 -1.437170
H -0.280973 -0.834613 0.572206
H 0.675139 4.497295 -2.793954
H -1.392838 1.456618 -0.461286
H -1.662305 0.521269 1.838690
H -2.830112 -3.577462 0.978634
H -1.503250 5.248706 -3.749498
H -3.565621 2.215047 -1.417220
H -3.646632 4.113946 -3.066861
H -3.825592 0.894187 3.037052
H -4.995338 -3.203875 2.185497
H -5.511573 -0.970058 3.220441


