%chk=000201967.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201967

0 1
O 2.926896 -0.371059 0.083466
O -3.000767 1.889371 0.961370
N -3.393154 0.310934 -0.640274
C 1.191843 1.336973 -0.158605
C 0.650630 -1.025202 0.315925
C 1.583201 -0.002876 0.039042
C 2.192741 2.430554 -0.399376
C 1.103103 -2.435785 0.560665
C -1.112879 0.632743 0.157948
C -0.174396 1.640145 -0.091094
C -0.707454 -0.688475 0.372876
C -5.611451 -0.695904 -0.043139
C -4.859105 0.519922 -0.638026
C 3.035192 2.692063 0.860878
C 1.004126 -2.800750 2.051472
C -2.562922 1.012122 0.234999
C -7.067545 -0.303208 0.229398
C -5.542912 -1.908300 -0.978052
C 4.052494 3.806325 0.638725
C 1.444609 -4.239077 2.307620
C 3.616222 -0.333851 -1.207565
C 4.992241 -0.824914 -0.885234
C 5.938163 -0.993188 -1.804850
H 1.689468 3.365724 -0.716389
H 2.863184 2.150137 -1.244583
H 2.156451 -2.559627 0.222795
H 0.503817 -3.141847 -0.046925
H -0.513346 2.671201 -0.214765
H -1.443298 -1.459622 0.599926
H -5.129461 -0.966860 0.930154
H -5.194951 0.721657 -1.677688
H -5.089165 1.437403 -0.040798
H 2.368252 2.948478 1.707563
H 3.551542 1.753225 1.155926
H 1.630879 -2.101989 2.642266
H -0.032812 -2.652564 2.410578
H -3.040122 -0.439421 -1.221550
H -7.589616 -0.002434 -0.685224
H -7.132669 0.531018 0.938166
H -7.628048 -1.139074 0.663211
H -5.969489 -1.687517 -1.962628
H -6.105170 -2.754721 -0.566139
H -4.514093 -2.248420 -1.128536
H 4.756338 3.560508 -0.164085
H 3.567585 4.753186 0.375299
H 4.642582 3.984409 1.545680
H 0.822642 -4.958426 1.763693
H 2.483882 -4.403804 1.999900
H 1.377457 -4.487330 3.373289
H 3.612490 0.713841 -1.578844
H 3.075510 -0.990064 -1.911661
H 5.152192 -1.031570 0.178674
H 5.803515 -0.796367 -2.858274
H 6.932574 -1.345290 -1.567204


%chk=000201967-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000201967

0 1
O 2.986208 -0.315403 -0.020507
O -2.994459 2.174955 -0.118581
N -3.473958 0.031883 -0.886406
C 1.200135 1.358578 -0.223467
C 0.658093 -1.069914 -0.120240
C 1.599318 -0.004867 -0.151734
C 2.216537 2.484525 -0.129679
C 1.107155 -2.506709 0.090575
C -1.147265 0.603187 -0.322075
C -0.182198 1.637813 -0.309015
C -0.715088 -0.742618 -0.211333
C -5.732584 -0.294981 0.217008
C -4.922174 0.269261 -0.982617
C 2.649990 2.758942 1.338840
C 1.454176 -2.803433 1.577249
C -2.597470 1.003742 -0.422410
C -7.217126 0.108921 0.068100
C -5.580907 -1.828172 0.341559
C 3.684774 3.898845 1.438515
C 1.911015 -4.261299 1.791086
C 3.693576 -0.491661 -1.323641
C 5.165016 -0.604267 -1.031119
C 5.960786 -1.597482 -1.497191
H 1.784546 3.409618 -0.557471
H 3.125734 2.249158 -0.715171
H 2.004116 -2.730105 -0.517760
H 0.308854 -3.199907 -0.240710
H -0.538647 2.672895 -0.354802
H -1.442825 -1.562513 -0.146169
H -5.327189 0.176945 1.134383
H -5.297486 -0.179114 -1.924537
H -5.061761 1.363520 -1.037767
H 1.753135 3.008765 1.938424
H 3.070027 1.826856 1.761342
H 2.251693 -2.106428 1.894705
H 0.568048 -2.588322 2.206332
H -3.101599 -0.864490 -1.198845
H -7.654298 -0.324092 -0.853046
H -7.331548 1.207470 0.016083
H -7.813557 -0.254624 0.924689
H -5.958207 -2.337069 -0.567866
H -6.156821 -2.212482 1.203269
H -4.524836 -2.121188 0.491397
H 4.601082 3.655229 0.867501
H 3.278526 4.845385 1.034174
H 3.980018 4.079971 2.488187
H 1.124586 -4.978495 1.487062
H 2.817777 -4.483206 1.197016
H 2.149750 -4.453032 2.853133
H 3.480366 0.391956 -1.962357
H 3.312724 -1.394451 -1.842062
H 5.582833 0.199267 -0.409007
H 5.563121 -2.418072 -2.107549
H 7.035284 -1.616890 -1.285501


