%chk=000217327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000217327

0 1
N 1.875540 0.058320 0.080503
N -5.989111 -0.026271 0.682765
C 4.808116 0.048412 0.117836
C 3.996341 1.333279 0.318196
C 3.984654 -1.161731 0.573302
C 2.640034 1.252314 -0.401230
C 2.628444 -1.215551 -0.148786
C 0.474135 0.039461 -0.169789
C -0.243747 1.244783 -0.355140
C -0.254418 -1.173065 -0.116063
C -2.347429 0.026545 -0.424593
C -1.630830 1.230705 -0.475563
C -1.640682 -1.171102 -0.238607
C -3.843553 0.016981 -0.554528
C -4.507171 0.076486 0.833925
H 5.094654 -0.061644 -0.945202
H 5.754585 0.102180 0.687169
H 3.828873 1.502710 1.401290
H 4.558597 2.209814 -0.052110
H 4.538359 -2.100293 0.388508
H 3.816717 -1.107110 1.668142
H 2.051291 2.172551 -0.178968
H 2.789769 1.218060 -1.502653
H 2.777247 -1.406680 -1.234161
H 2.031384 -2.066184 0.254905
H 0.283946 2.196386 -0.388822
H 0.265071 -2.117456 0.037951
H -2.162659 2.171542 -0.612890
H -2.183179 -2.115484 -0.189935
H -4.187570 -0.895751 -1.086838
H -4.189318 0.860662 -1.183328
H -4.167060 -0.789023 1.446545
H -4.178952 0.993357 1.369079
H -6.348772 0.745652 0.130280
H -6.439604 0.024844 1.591308


%chk=000217327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000217327

0 1
N 1.913733 0.069786 -0.015418
N -6.040205 -0.065355 0.707153
C 4.852624 0.006717 0.160378
C 4.071598 1.338371 0.113543
C 3.970893 -1.087133 0.800349
C 2.730638 1.149286 -0.624374
C 2.616072 -1.227002 0.070499
C 0.503543 0.082903 -0.191925
C -0.235662 1.301428 -0.090786
C -0.241659 -1.110400 -0.436565
C -2.380004 0.129303 -0.457367
C -1.636618 1.316133 -0.225223
C -1.647290 -1.078276 -0.556493
C -3.897450 0.142857 -0.543250
C -4.570060 -0.039070 0.843958
H 5.128298 -0.294244 -0.871947
H 5.795942 0.124751 0.725852
H 3.872649 1.689141 1.144844
H 4.661218 2.121090 -0.401553
H 4.486733 -2.066568 0.786165
H 3.777291 -0.826959 1.859288
H 2.160333 2.090507 -0.617855
H 2.940690 0.903510 -1.694724
H 2.786892 -1.661023 -0.946359
H 1.982271 -1.935523 0.631048
H 0.283460 2.241254 0.124110
H 0.272513 -2.067614 -0.563836
H -2.167035 2.273679 -0.139968
H -2.184376 -2.015733 -0.751581
H -4.268355 -0.665532 -1.200198
H -4.246884 1.100709 -0.980535
H -4.244772 -1.006964 1.269765
H -4.186512 0.756782 1.528139
H -6.435806 0.798018 0.320438
H -6.540998 -0.371130 1.546926


