%chk=000216124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216124

0 1
O -0.541892 -0.596380 -0.500404
O -0.464529 -0.796678 1.753126
N -4.242226 -0.297949 -0.303144
C 2.673786 -0.785394 0.398259
C 1.370253 -1.606946 0.353920
C 2.379703 -1.830261 1.464216
C 2.634762 0.669281 0.751561
C 3.706614 -1.077532 -0.648142
C 0.063923 -0.970858 0.681613
C 1.828841 1.551022 0.016853
C 5.013947 -1.411177 -0.266883
C 3.431156 1.153942 1.798851
C 3.371210 -0.995561 -2.007362
C -7.105147 0.150597 0.209562
C -1.842510 0.063482 -0.425710
C -2.923658 -0.989871 -0.148325
C -6.008119 1.052323 0.808353
C -6.587406 -0.461207 -1.106891
C -4.702037 0.268826 1.008711
C -5.271656 -1.223193 -0.882376
C 1.820100 2.911903 0.332312
C 5.979433 -1.666973 -1.244541
C 3.417201 2.516592 2.109480
C 4.341272 -1.252964 -2.979499
C 2.613358 3.396517 1.377674
C 5.644953 -1.589803 -2.600335
C -8.395704 0.941176 -0.025448
H 1.273846 -2.360803 -0.444198
H 2.125367 -1.504408 2.475977
H 2.944609 -2.760643 1.486319
H 1.206267 1.170446 -0.794821
H 5.276427 -1.465655 0.787948
H 4.058475 0.470485 2.367724
H 2.356956 -0.727442 -2.302152
H -7.321699 -0.676674 0.929028
H -1.803359 0.850305 0.345671
H -1.926694 0.506616 -1.434399
H -2.763852 -1.441200 0.856245
H -2.819099 -1.819669 -0.879528
H -5.822967 1.913027 0.135747
H -6.338787 1.476949 1.772668
H -7.341395 -1.140974 -1.541200
H -6.424529 0.342002 -1.852764
H -3.909122 0.954281 1.380092
H -4.841344 -0.511496 1.788094
H -5.453441 -2.115980 -0.246315
H -4.887047 -1.589022 -1.859455
H 1.193591 3.596108 -0.237588
H 6.994897 -1.925199 -0.948643
H 4.033847 2.892807 2.924003
H 4.080932 -1.188858 -4.034873
H 2.604261 4.456925 1.621840
H 6.398609 -1.789220 -3.359588
H -8.243535 1.769814 -0.726121
H -8.776502 1.369281 0.908054
H -9.184441 0.304081 -0.439497


%chk=000216124-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216124

0 1
O -0.710985 -0.802004 -1.021623
O -0.377157 -0.231824 1.224081
N -4.435170 -0.483324 -0.409493
C 2.674443 -0.732036 0.279301
C 1.328888 -1.476844 -0.023321
C 2.167074 -1.820953 1.218567
C 2.650307 0.718814 0.724832
C 3.835817 -1.068367 -0.642267
C 0.028080 -0.781184 0.171729
C 2.354231 1.740430 -0.213491
C 5.120185 -1.300655 -0.087009
C 2.981489 1.084699 2.051345
C 3.683044 -1.103194 -2.050498
C -7.158385 0.217457 0.514477
C -2.053275 -0.150636 -0.974921
C -3.121730 -1.158016 -0.508348
C -5.911410 1.062681 0.874464
C -6.891558 -0.537266 -0.811986
C -4.634893 0.199883 0.895183
C -5.586895 -1.356782 -0.744960
C 2.381605 3.098003 0.169118
C 6.227812 -1.566014 -0.921024
C 3.014277 2.443660 2.437028
C 4.790512 -1.367778 -2.888001
C 2.714254 3.455519 1.497169
C 6.066925 -1.599273 -2.326402
C -8.435323 1.079731 0.437190
H 1.353277 -2.165677 -0.871050
H 1.729863 -1.507015 2.171672
H 2.678741 -2.787663 1.221300
H 2.102429 1.469609 -1.245924
H 5.248064 -1.269156 1.001641
H 3.207176 0.303508 2.786353
H 2.694725 -0.927417 -2.491668
H -7.294555 -0.543009 1.315401
H -2.004080 0.720484 -0.299478
H -2.244010 0.174804 -2.008401
H -2.800696 -1.611570 0.458979
H -3.188557 -1.974824 -1.250065
H -5.789030 1.869491 0.124666
H -6.047122 1.542726 1.863703
H -7.738909 -1.211369 -1.047317
H -6.808413 0.198458 -1.636750
H -3.751833 0.827803 1.110821
H -4.710238 -0.550934 1.726123
H -5.710853 -2.178216 0.010379
H -5.389449 -1.834948 -1.722649
H 2.144869 3.876786 -0.564775
H 7.214118 -1.745351 -0.478128
H 3.269274 2.711747 3.468611
H 4.657435 -1.393129 -3.975517
H 2.736489 4.509743 1.795519
H 6.925839 -1.804950 -2.975020
H -8.339946 1.850782 -0.351579
H -8.627389 1.599672 1.394685
H -9.323482 0.463688 0.201032


