%chk=000212427.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212427

0 1
O 4.269438 0.332288 0.151659
O 3.947363 -1.825342 -0.515800
N -0.173656 -0.071934 0.643003
N 2.579841 -0.873222 1.130554
N -3.782824 0.305373 -0.361720
C 0.910537 0.961265 0.731780
C 0.360062 -1.341980 0.048923
C 2.049864 0.428180 1.624646
C 1.500157 -1.884439 0.933943
C -1.340218 0.442682 -0.144944
C -2.611670 -0.266554 0.369782
C 3.601647 -0.873137 0.158629
C -5.080305 -0.135189 0.240037
C -6.241728 0.362745 -0.634752
C -7.596710 0.018254 -0.002941
C 5.519257 0.399392 -0.645829
C -8.758658 0.502414 -0.867190
C 6.226613 1.595610 -0.031828
C 5.136159 0.580914 -2.103961
H 1.313336 1.260669 -0.259559
H 0.479086 1.873681 1.198878
H -0.466836 -2.084640 0.022535
H 0.717123 -1.219428 -0.996716
H 1.676291 0.254741 2.660756
H 2.876413 1.171579 1.685481
H 1.932642 -2.809364 0.488099
H 1.114256 -2.146608 1.945947
H -1.456452 1.538014 0.019562
H -1.227472 0.306633 -1.240438
H -2.517908 -1.367703 0.264700
H -2.723862 -0.064074 1.459019
H -3.744935 0.021535 -1.346805
H -5.146829 -1.236200 0.375620
H -5.150039 0.317180 1.254974
H -6.176128 -0.073224 -1.649417
H -6.155058 1.459688 -0.775123
H -7.676410 -1.075783 0.150681
H -7.668157 0.472449 1.005297
H 6.067668 -0.554439 -0.477467
H -8.743540 0.041566 -1.861349
H -9.722854 0.258619 -0.407027
H -8.729461 1.588973 -1.010197
H 6.409332 1.440149 1.039823
H 7.190999 1.779212 -0.518290
H 5.625017 2.509648 -0.120640
H 4.449819 1.424288 -2.242955
H 6.015328 0.757437 -2.732964
H 4.630264 -0.319318 -2.486215


%chk=000212427-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212427

0 1
O 4.580286 0.354031 0.170333
O 4.131679 -1.885583 -0.412866
N -0.326626 0.224176 0.311823
N 2.449853 -0.484446 0.433527
N -4.083612 0.346563 -0.248714
C 0.722151 1.273642 0.244059
C 0.160975 -1.029173 -0.320129
C 1.997401 0.810604 0.976978
C 1.421049 -1.541640 0.401144
C -1.632630 0.678043 -0.223356
C -2.818768 -0.117775 0.357838
C 3.737796 -0.768336 0.028606
C -5.306065 -0.266598 0.315594
C -6.573369 0.285838 -0.365113
C -7.875169 -0.331196 0.194573
C 5.999466 0.159889 -0.283042
C -9.142712 0.225968 -0.488535
C 6.813186 1.197304 0.495197
C 6.073781 0.327339 -1.807796
H 0.984979 1.529057 -0.814869
H 0.339651 2.188998 0.731688
H -0.626101 -1.800947 -0.255529
H 0.399124 -0.869901 -1.403558
H 1.765016 0.692333 2.055072
H 2.804165 1.548674 0.864454
H 1.846436 -2.418583 -0.112408
H 1.153853 -1.826297 1.438918
H -1.776698 1.739848 0.045949
H -1.660724 0.624914 -1.344228
H -2.650013 -1.216517 0.225756
H -2.862760 0.064834 1.447623
H -4.063898 0.254781 -1.275324
H -5.304500 -1.385221 0.236897
H -5.337124 -0.028397 1.397956
H -6.520264 0.090841 -1.458052
H -6.590524 1.386196 -0.241694
H -7.842542 -1.433203 0.072136
H -7.928580 -0.140615 1.285885
H 6.290022 -0.870435 -0.005559
H -9.130916 0.018965 -1.575479
H -10.060402 -0.225426 -0.068682
H -9.213826 1.322136 -0.357477
H 6.697272 1.050595 1.582700
H 7.884433 1.103143 0.240468
H 6.484677 2.221440 0.243157
H 5.721892 1.331421 -2.105803
H 7.118363 0.208340 -2.150564
H 5.457119 -0.437026 -2.309352


