%chk=000218677.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218677

1 1
O -2.277689 1.968253 0.637327
N 0.644292 2.367593 0.423728
N 1.379639 -0.771805 -0.869817
C -2.270628 0.916309 -0.355933
C -4.006306 -0.749083 0.170175
C -2.498666 -0.439334 0.335607
C -3.431018 1.129323 -1.349232
C -4.420444 -0.025932 -1.132387
C -0.882376 1.080978 -1.022030
C -4.307761 -2.266761 0.137181
C 0.242876 1.192592 -0.040535
C 0.909924 -0.113524 0.398043
C 2.164554 0.038393 1.329769
C -3.837759 -2.943319 1.430948
C -5.807392 -2.511687 -0.063559
C 3.304335 -0.493199 0.487839
C 2.436230 1.434347 1.780088
C 2.804059 -0.977440 -0.746109
C 1.737716 2.497088 1.359829
C -0.011131 3.640827 0.032976
C 4.659827 -0.565449 0.770593
C 3.640724 -1.534933 -1.706686
C 5.513742 -1.124256 -0.195651
C 5.012526 -1.597242 -1.411264
H -4.562530 -0.300417 1.026896
H -2.216935 -0.405460 1.401207
H -1.895614 -1.236107 -0.132219
H -3.091871 1.157602 -2.399251
H -3.912351 2.110451 -1.174547
H -5.460769 0.338385 -1.068994
H -4.398778 -0.718824 -1.994136
H -0.911722 1.959431 -1.708864
H -0.711916 0.223690 -1.720282
H -3.758277 -2.725254 -0.722388
H 0.123472 -0.718083 0.924722
H 2.029225 -0.617350 2.232844
H -3.131801 1.992025 1.122874
H -4.318840 -2.510734 2.316011
H -4.093948 -4.011597 1.428335
H -2.756449 -2.875662 1.569688
H -6.410020 -2.054949 0.729924
H -6.036880 -3.585363 -0.055819
H -6.168638 -2.119532 -1.019873
H 0.862433 -1.628045 -1.096524
H 3.276037 1.552396 2.478287
H 1.947622 3.523397 1.689103
H 0.316503 4.486124 0.666629
H -1.122614 3.568112 0.151140
H 0.217151 3.903773 -1.017480
H 5.063600 -0.207800 1.716310
H 3.257216 -1.902881 -2.656403
H 6.583778 -1.190563 0.010318
H 5.696142 -2.026505 -2.148407


%chk=000218677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218677

1 1
O -2.490483 1.911203 0.531371
N 0.555068 2.443062 0.312181
N 1.903486 -0.020948 -1.316581
C -2.351992 0.889692 -0.541003
C -3.962242 -0.795617 0.205865
C -2.435751 -0.531748 0.067853
C -3.550398 0.955120 -1.537929
C -4.547126 -0.163472 -1.097749
C -1.003458 1.278888 -1.237654
C -4.339106 -2.287051 0.418625
C 0.175300 1.323258 -0.302333
C 0.990718 0.041687 -0.134441
C 1.956543 -0.029630 1.097982
C -3.648602 -2.882636 1.669341
C -5.873507 -2.466025 0.516515
C 3.209676 -0.690202 0.495551
C 2.287929 1.340860 1.644346
C 3.136098 -0.607469 -0.915468
C 1.650011 2.468212 1.250669
C -0.126231 3.754220 0.065292
C 4.337500 -1.231443 1.128441
C 4.189503 -1.065516 -1.731250
C 5.403302 -1.709965 0.321170
C 5.323706 -1.622168 -1.088757
H -4.345457 -0.236951 1.091471
H -1.889115 -0.604124 1.024306
H -2.012031 -1.275025 -0.639302
H -3.204240 0.785638 -2.573953
H -3.993022 1.966409 -1.508662
H -5.566008 0.228425 -0.944222
H -4.616577 -0.943227 -1.879180
H -1.155443 2.246160 -1.746260
H -0.812071 0.519072 -2.016002
H -3.982460 -2.845802 -0.475014
H 0.297696 -0.822183 -0.113339
H 1.530254 -0.646495 1.911852
H -3.316003 1.731287 1.048221
H -3.939688 -2.328177 2.582606
H -3.947603 -3.936317 1.812480
H -2.546030 -2.859829 1.590562
H -6.278569 -1.915603 1.387602
H -6.134053 -3.531690 0.645738
H -6.394144 -2.103636 -0.387842
H 1.507823 -0.258197 -2.228781
H 3.091220 1.418347 2.383593
H 1.899141 3.459957 1.628668
H 0.189064 4.466302 0.840325
H -1.214083 3.608725 0.128300
H 0.169179 4.145014 -0.923520
H 4.400859 -1.297649 2.220553
H 4.140174 -1.004025 -2.823137
H 6.290123 -2.145248 0.791157
H 6.153622 -1.991471 -1.700256


