%chk=000294611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000294611

0 1
O 0.025768 3.179421 0.555303
O 2.249500 2.585943 0.659036
O 0.643705 0.992377 -1.725739
O 1.545980 -1.572336 -1.470748
O 3.793260 -4.094007 1.537825
O 3.140790 -2.079004 2.282958
N -1.321041 0.071900 -0.814792
N 3.423226 -0.977125 -0.315769
N -2.187483 -1.984232 -1.378828
N -2.965661 0.681685 0.988026
N -4.667817 -1.047075 1.325388
N -4.723764 -3.062667 0.087678
C 0.038358 1.751755 0.482088
C 1.541035 1.358273 0.488069
C -0.498415 1.297796 -0.901848
C 1.829283 0.791818 -0.923354
C 1.366802 3.718682 0.371272
C 2.189614 -0.697874 -0.931130
C 1.590612 4.755251 1.446722
C 1.551721 4.174394 -1.060011
C -2.437637 -0.125713 0.010424
C -1.221490 -1.105904 -1.643427
C -2.966924 -1.410968 -0.355616
C 3.805432 -2.375274 -0.074774
C -4.125795 -1.857957 0.345897
C -4.067888 0.156226 1.588572
C 3.523466 -2.762036 1.364761
H -0.571672 1.410923 1.347527
H 1.861604 0.709833 1.326968
H -1.042382 2.101992 -1.458706
H 2.609622 1.388466 -1.459195
H 1.906082 4.281769 2.389613
H 2.358709 5.486470 1.171466
H 0.657159 5.298572 1.660359
H 2.600141 4.420284 -1.269442
H 1.243133 3.401728 -1.779632
H 0.946810 5.066226 -1.272553
H -0.402095 -1.212939 -2.355077
H 3.910415 -0.281284 0.247871
H 4.887343 -2.528741 -0.307367
H 3.239671 -3.061107 -0.768009
H -4.538327 0.763215 2.381475
H -4.348466 -3.673177 -0.622056
H -5.542531 -3.352414 0.597585
H 3.612046 -4.409667 2.466690


%chk=000294611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000294611

0 1
O 0.004909 3.347512 0.380218
O 2.201562 2.577677 0.758521
O 0.623734 1.134749 -1.853506
O 1.282451 -1.606876 -1.450347
O 3.740712 -4.003768 1.866854
O 2.911492 -1.900868 2.426472
N -1.386933 0.144144 -0.949698
N 3.196519 -1.039563 -0.248436
N -2.466122 -1.718058 -1.760841
N -2.522994 0.295070 1.285066
N -4.170743 -1.503481 1.601412
N -4.588575 -3.152822 -0.042218
C -0.070558 1.878305 0.341352
C 1.408904 1.385823 0.443660
C -0.571282 1.381258 -1.037067
C 1.745501 0.789637 -0.965744
C 1.428208 3.783244 0.334203
C 2.023681 -0.730189 -0.928730
C 1.635854 4.863372 1.391095
C 1.807765 4.215658 -1.090574
C -2.286914 -0.257420 0.056126
C -1.550253 -0.769802 -2.011910
C -2.934988 -1.407545 -0.470848
C 3.530802 -2.418786 0.079982
C -3.907527 -2.035520 0.359868
C -3.476797 -0.389338 1.984497
C 3.344798 -2.699697 1.570786
H -0.729645 1.549888 1.160394
H 1.578298 0.665745 1.260191
H -1.141344 2.167449 -1.560244
H 2.636304 1.304091 -1.369983
H 1.354251 4.473331 2.381747
H 2.693485 5.177142 1.413093
H 1.009323 5.741166 1.159508
H 2.885139 4.451650 -1.140452
H 1.571119 3.423898 -1.821111
H 1.236898 5.119570 -1.365204
H -0.935185 -0.705530 -2.903627
H 3.718370 -0.291298 0.214189
H 4.565592 -2.679326 -0.207368
H 2.851425 -3.073184 -0.497091
H -3.715611 0.000439 2.978418
H -4.396767 -3.557602 -0.956254
H -5.275513 -3.566507 0.584289
H 3.602553 -4.190144 2.834812


