%chk=000219202.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219202

0 1
O 0.098687 -1.447465 -2.196821
O -1.201734 1.218975 0.780099
O 4.335431 -0.173255 2.084096
O 2.641603 3.453600 -0.047273
N 3.491937 1.627888 0.989463
C -1.459436 -0.843639 -0.422160
C -3.940415 -1.387797 -0.767919
C -2.593558 -1.059534 -1.439027
C -0.147023 -0.485361 -1.158613
C -3.203124 -0.033346 1.285507
C -4.310742 -0.290689 0.249335
C -1.881778 0.241448 0.568838
C 1.058162 -0.420856 -0.209290
C 2.358054 -0.105133 -0.971360
C -3.941725 -2.781520 -0.132946
C -3.568615 1.122643 2.213496
C 3.590489 -0.569056 -0.178152
C 2.483087 1.393080 -1.291970
C 3.840135 0.251478 1.061968
C 2.840700 2.260711 -0.112823
H -1.309364 -1.790523 0.152993
H -2.303119 -1.866227 -2.142298
H -2.705518 -0.154331 -2.069159
H -4.724247 -1.381052 -1.570040
H -0.262388 0.458984 -1.741410
H -3.063189 -0.958955 1.901798
H -5.245732 -0.562900 0.775541
H -4.538153 0.649724 -0.291095
H 0.863863 0.354408 0.567829
H 1.163163 -1.369744 0.347471
H 2.334175 -0.667923 -1.944123
H -3.704562 -3.555578 -0.871531
H -3.211336 -2.867553 0.678025
H -4.923860 -3.024699 0.288851
H -2.761173 1.326125 2.930496
H -3.723409 2.056815 1.657422
H -4.480432 0.913527 2.781433
H 4.498990 -0.524946 -0.818366
H 3.499134 -1.638696 0.108404
H 1.531464 1.774278 -1.729950
H 3.242565 1.556061 -2.087774
H 0.231159 -2.342025 -1.830430
H 3.693435 2.212760 1.814565


%chk=000219202-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219202

0 1
O 0.109974 -1.481561 -2.275399
O -1.216866 1.290906 0.778155
O 4.206832 0.311595 2.321118
O 2.422824 3.459386 -0.572951
N 3.291749 1.828585 0.825092
C -1.459187 -0.820562 -0.462023
C -3.994208 -1.255363 -0.809232
C -2.646042 -0.889043 -1.481501
C -0.112377 -0.519137 -1.166505
C -3.138682 -0.112007 1.372057
C -4.304369 -0.254410 0.335053
C -1.853390 0.215384 0.604453
C 1.093069 -0.521432 -0.202925
C 2.455202 -0.261379 -0.900601
C -4.042178 -2.729700 -0.338488
C -3.458903 0.928514 2.459085
C 3.634678 -0.514437 0.071107
C 2.583270 1.173249 -1.472286
C 3.738148 0.534763 1.173509
C 2.734089 2.252349 -0.405716
H -1.384705 -1.811051 0.039672
H -2.387559 -1.614868 -2.273229
H -2.735652 0.101098 -1.973210
H -4.785489 -1.134991 -1.578068
H -0.192355 0.452561 -1.683316
H -2.991492 -1.107541 1.843784
H -5.221342 -0.557947 0.876740
H -4.501391 0.748538 -0.095046
H 0.910157 0.234186 0.582656
H 1.139128 -1.510915 0.302637
H 2.538447 -0.967340 -1.748096
H -3.836663 -3.416413 -1.180449
H -3.303293 -2.944759 0.455901
H -5.040688 -2.979615 0.064925
H -2.640565 1.005446 3.195604
H -3.590381 1.929969 2.013278
H -4.387710 0.655988 2.992514
H 4.593699 -0.503899 -0.486387
H 3.562897 -1.498510 0.564837
H 1.724215 1.454520 -2.102419
H 3.477552 1.234447 -2.125635
H 0.224562 -2.384589 -1.878525
H 3.376593 2.549684 1.552930


