%chk=000297956.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297956

0 1
O 3.205232 2.421368 -0.013244
N -1.088525 2.466080 -0.267936
N -4.417492 -1.527231 -0.884877
N 3.236613 0.286375 -0.810583
C -1.566615 1.844173 1.020365
C -0.771707 0.549880 1.411921
C -3.267686 0.534782 -0.276548
C -3.087217 1.532845 0.869593
C 0.744695 0.749475 1.270155
C -1.249993 -0.711859 0.725777
C -2.446493 -0.683063 0.037515
C 1.072480 1.258353 -0.138643
C 0.398968 2.625837 -0.343680
C -4.676157 -0.072883 -0.543455
C -3.130670 -1.862952 -0.356078
C -0.630757 -1.973989 0.882300
C -1.716207 3.810345 -0.471637
C 2.585819 1.405899 -0.292885
C -2.523459 -3.105410 -0.199877
C -1.249665 -3.127699 0.401057
C 4.713548 0.247521 -0.935284
C 5.347013 -0.772297 0.022305
C 5.148356 -2.222630 -0.436410
C 5.830179 -3.209663 0.508227
H -1.442693 2.559492 1.876126
H -0.989823 0.384981 2.504850
H -2.890815 1.001708 -1.225591
H -3.654521 2.461038 0.676876
H -3.474269 1.121645 1.818947
H 1.105665 1.473545 2.028610
H 1.278778 -0.197228 1.480443
H 0.656817 0.543007 -0.895646
H 0.810223 3.361715 0.383555
H 0.641978 3.014552 -1.358478
H -5.350408 0.041930 0.323808
H -5.160711 0.396450 -1.421093
H -5.174221 -2.155479 -0.627279
H 0.324211 -2.046501 1.393513
H -1.418514 4.194345 -1.461250
H -1.450773 4.563110 0.285276
H -2.813527 3.705579 -0.488914
H -3.003116 -4.021857 -0.520822
H -0.748034 -4.088527 0.517439
H 2.746523 -0.585471 -0.974884
H 4.973227 0.014618 -1.991800
H 5.117620 1.269121 -0.721895
H 4.939111 -0.636481 1.043475
H 6.430164 -0.553627 0.110270
H 5.547762 -2.351520 -1.461983
H 4.068212 -2.456971 -0.500818
H 5.436474 -3.132335 1.528199
H 5.680368 -4.243510 0.176652
H 6.911429 -3.037387 0.562037


%chk=000297956-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297956

0 1
O 3.258690 2.253860 0.730595
N -1.017591 2.315535 -0.342142
N -4.455673 -1.449381 -0.884084
N 3.371818 0.428131 -0.715282
C -1.589125 1.882953 0.970855
C -0.869196 0.601378 1.517776
C -3.360104 0.562355 -0.230861
C -3.126292 1.637178 0.845801
C 0.667635 0.776396 1.503493
C -1.353737 -0.693860 0.847623
C -2.543011 -0.663104 0.117521
C 1.155944 1.155109 0.086022
C 0.459218 2.470405 -0.324243
C -4.775485 -0.052200 -0.444665
C -3.212375 -1.828036 -0.331080
C -0.754146 -1.973774 1.047724
C -1.647300 3.545612 -0.871326
C 2.676047 1.336676 0.069115
C -2.616362 -3.095865 -0.156227
C -1.370649 -3.137273 0.528593
C 4.841156 0.427553 -0.820171
C 5.514050 -0.729846 -0.044788
C 5.145043 -2.137255 -0.567272
C 5.877860 -3.264069 0.192753
H -1.428714 2.690610 1.735200
H -1.172834 0.529530 2.585465
H -2.991758 0.957089 -1.200295
H -3.657944 2.579648 0.621309
H -3.500333 1.280966 1.826153
H 0.964202 1.585716 2.198606
H 1.163969 -0.146308 1.855035
H 0.849278 0.361847 -0.624136
H 0.796021 3.272434 0.379213
H 0.778756 2.767933 -1.340925
H -5.351938 -0.053445 0.509438
H -5.363073 0.478536 -1.213094
H -5.207779 -2.130011 -0.994786
H 0.173543 -2.072037 1.622710
H -1.142449 3.831931 -1.810839
H -1.576814 4.412120 -0.165892
H -2.712249 3.379476 -1.104855
H -3.094306 -4.018653 -0.502797
H -0.891106 -4.110668 0.688744
H 2.840130 -0.290764 -1.208552
H 5.125873 0.379263 -1.890364
H 5.176185 1.398767 -0.416057
H 5.247876 -0.645088 1.027033
H 6.613038 -0.593741 -0.112693
H 5.386630 -2.201362 -1.648763
H 4.050247 -2.292528 -0.476954
H 5.634551 -3.235576 1.271436
H 5.597171 -4.261645 -0.191800
H 6.974806 -3.159316 0.094429


