%chk=000200277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000200277

0 1
O 1.173653 2.310105 1.236510
N 2.548800 -0.666938 0.046863
N 0.840812 1.423222 -0.850255
C 2.861553 0.741952 0.432339
C 1.695535 -1.380287 1.056048
C 3.774427 -1.456177 -0.302379
C 1.541043 1.545685 0.358426
C 3.511717 0.937133 1.802106
C -0.545723 1.950781 -0.934634
C -1.550359 0.919561 -0.480364
C 0.704205 -2.280614 0.317220
C 4.348824 -0.983354 -1.638482
C -2.238478 0.085490 -1.382549
C -1.780789 0.783763 0.897056
C -3.152277 -0.857966 -0.889878
C -3.383003 -0.983765 0.487274
C -2.688245 -0.156250 1.383039
C -2.017469 0.185679 -2.859061
C -4.370728 -1.987493 0.988731
H 3.548849 1.161813 -0.355524
H 2.296056 -1.974447 1.776953
H 1.127651 -0.641194 1.665763
H 4.554368 -1.406742 0.488392
H 3.476684 -2.525831 -0.391434
H 4.472615 0.419668 1.871328
H 2.871472 0.582453 2.619270
H 3.682536 2.005149 2.001349
H -0.726011 2.280029 -1.981120
H -0.620997 2.870704 -0.300862
H 1.022108 0.594392 -1.424847
H 0.019200 -1.685433 -0.303799
H 1.207225 -2.989329 -0.348984
H 0.092690 -2.851994 1.023405
H 3.576572 -0.973196 -2.418780
H 4.757197 0.032049 -1.575294
H 5.154164 -1.645384 -1.974011
H -1.231004 1.423990 1.594776
H -3.690701 -1.498897 -1.583996
H -2.856377 -0.243385 2.453406
H -2.342232 1.163348 -3.243693
H -0.957174 0.062521 -3.118614
H -2.573297 -0.576541 -3.421056
H -5.399791 -1.656012 0.785132
H -4.242160 -2.964500 0.503563
H -4.293942 -2.152359 2.071166


%chk=000200277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000200277

0 1
O 1.365362 2.551394 1.218411
N 2.738365 -0.628064 -0.027699
N 0.802776 1.140902 -0.563176
C 2.931312 0.732167 0.572582
C 1.973614 -1.563158 0.854932
C 3.995262 -1.223246 -0.565437
C 1.616825 1.559828 0.462916
C 3.489688 0.772995 2.015448
C -0.506290 1.754220 -0.852281
C -1.681331 0.888664 -0.399834
C 1.228205 -2.652789 0.061026
C 4.439436 -0.593268 -1.899493
C -2.315533 -0.043495 -1.273264
C -2.133826 0.995518 0.938933
C -3.381872 -0.832262 -0.771849
C -3.842215 -0.726635 0.564428
C -3.194768 0.200557 1.419639
C -1.874097 -0.211945 -2.720570
C -5.010180 -1.563935 1.058303
H 3.655644 1.259723 -0.080576
H 2.636233 -2.037425 1.616471
H 1.228138 -0.965759 1.411539
H 4.825272 -1.159256 0.178550
H 3.808195 -2.299454 -0.730844
H 4.485674 0.296750 2.065311
H 2.817683 0.265585 2.728466
H 3.577501 1.822995 2.339600
H -0.565679 1.967869 -1.934995
H -0.516100 2.717340 -0.311963
H 1.127154 0.276560 -1.023525
H 0.490647 -2.198228 -0.624710
H 1.915649 -3.278258 -0.536923
H 0.684216 -3.321434 0.753545
H 3.644838 -0.703244 -2.658429
H 4.665904 0.483535 -1.797126
H 5.354364 -1.089892 -2.272610
H -1.635006 1.708311 1.606909
H -3.868981 -1.550518 -1.444629
H -3.525755 0.302199 2.460490
H -2.027027 0.713994 -3.307443
H -0.801002 -0.471471 -2.802464
H -2.447176 -1.015083 -3.214396
H -5.962035 -1.002517 0.983558
H -5.126591 -2.488483 0.465893
H -4.883295 -1.849887 2.117783


