%chk=000239934.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239934

0 1
O 1.374947 -1.137335 -1.469265
N 3.359369 0.042138 0.300237
C 1.098278 0.010554 -0.645638
C -0.389512 0.037689 -0.349154
C 1.914163 -0.069310 0.670433
C -1.058867 1.281850 -0.429770
C -1.091117 -1.119748 0.046956
C -2.442326 1.368592 -0.070923
C -2.476977 -1.017810 0.407982
C 4.218033 -0.894747 1.097478
C 3.839142 1.461256 0.403566
C -3.127549 0.219782 0.347258
C -0.405029 2.496714 -0.865438
C -0.480686 -2.430917 0.110410
C -3.115617 2.646173 -0.139272
C -3.188232 -2.201098 0.839916
C 4.047623 -2.323512 0.579626
C 5.087333 1.650779 -0.459249
C -1.069070 3.684830 -0.921242
C -1.181299 -3.524205 0.519826
C -2.453512 3.764772 -0.545762
C -2.562998 -3.408713 0.899129
H 1.412349 0.902858 -1.246493
H 1.705236 -1.043590 1.164823
H 1.569152 0.709626 1.380758
H 5.281192 -0.586838 0.973466
H 4.002132 -0.852456 2.186845
H 3.034956 2.134507 0.031453
H 4.046821 1.768514 1.451494
H -4.178451 0.291170 0.626000
H 0.643931 2.432039 -1.168002
H 0.561861 -2.523741 -0.216658
H -4.167135 2.683025 0.142631
H -4.236691 -2.092939 1.112512
H 2.356934 -1.220913 -1.567604
H 3.013409 -2.676657 0.675371
H 4.311764 -2.393192 -0.483384
H 4.689958 -3.019293 1.129559
H 5.944540 1.088145 -0.071596
H 4.913890 1.297789 -1.484948
H 5.373797 2.706211 -0.510170
H -0.572332 4.594490 -1.254448
H -0.717661 -4.508077 0.559659
H -2.949985 4.731738 -0.600657
H -3.087164 -4.305749 1.223482


%chk=000239934-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239934

0 1
O 1.649382 -0.804523 -1.533823
N 3.382486 0.014923 0.317531
C 1.121796 0.268139 -0.683156
C -0.378373 0.175787 -0.408434
C 1.948821 0.250303 0.651468
C -1.144033 1.392941 -0.368430
C -1.012864 -1.073635 -0.091793
C -2.562372 1.346727 -0.010673
C -2.428430 -1.094910 0.274985
C 4.097394 -0.840098 1.312519
C 4.109668 1.279400 -0.007701
C -3.164520 0.109334 0.301977
C -0.593490 2.702284 -0.650887
C -0.317897 -2.343115 -0.105315
C -3.335426 2.562743 0.034429
C -3.061684 -2.343518 0.619229
C 3.715822 -2.328465 1.209767
C 5.324686 1.060394 -0.927741
C -1.368673 3.857187 -0.596678
C -0.960983 -3.527532 0.241918
C -2.760385 3.794036 -0.249547
C -2.348421 -3.535065 0.613731
H 1.333398 1.223007 -1.200764
H 1.588146 -0.584096 1.275839
H 1.788304 1.193954 1.216515
H 5.180642 -0.736813 1.122053
H 3.918367 -0.470641 2.350141
H 3.394074 1.948971 -0.520745
H 4.423465 1.803577 0.926654
H -4.225707 0.084019 0.580953
H 0.459215 2.806405 -0.927122
H 0.716043 -2.351693 -0.455042
H -4.396466 2.491451 0.302605
H -4.124953 -2.329613 0.888051
H 2.620291 -0.833613 -1.233534
H 2.639531 -2.494696 1.393815
H 3.954415 -2.720562 0.205399
H 4.277645 -2.916917 1.958371
H 6.089428 0.413313 -0.461573
H 5.009748 0.589250 -1.875387
H 5.806010 2.027962 -1.161068
H -0.914015 4.827629 -0.825723
H -0.407807 -4.473352 0.212423
H -3.356026 4.712486 -0.212774
H -2.837650 -4.478967 0.878734


