%chk=000277717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000277717

0 1
O 1.900569 1.972991 1.736234
O 1.290408 -1.167420 -1.620437
O -4.286162 -2.628460 1.090327
O -2.357678 -2.458575 0.127448
N 1.976399 0.333474 0.053782
N -3.441788 -2.011000 0.463165
C -0.168566 1.157464 0.721526
C -0.344114 0.146390 -0.369077
C 1.333437 1.256263 0.955585
C 1.015473 -0.360182 -0.772342
C 3.406378 0.119549 -0.010479
C -1.475526 -0.297842 -0.921612
C -2.818293 0.198732 -0.571383
C 3.907258 -1.101726 -0.494598
C 4.282817 1.134408 0.411932
C -3.763656 -0.617002 0.081866
C -3.184741 1.509167 -0.918641
C 5.288353 -1.296584 -0.555113
C 5.660445 0.916411 0.347290
C -5.045871 -0.127863 0.389458
C -4.460365 1.991172 -0.618581
C 6.167960 -0.293638 -0.135675
C -5.390742 1.175152 0.038007
H -0.588509 2.150606 0.460420
H -0.684365 0.855440 1.659380
H -1.454945 -1.092548 -1.687992
H 3.231863 -1.890439 -0.834396
H 3.900473 2.079744 0.802795
H -2.467275 2.148516 -1.436032
H 5.679415 -2.241334 -0.932874
H 6.342278 1.699781 0.677898
H -5.762113 -0.781209 0.903846
H -4.734433 3.011330 -0.897575
H 7.242700 -0.454647 -0.184283
H -6.385083 1.557980 0.272628


%chk=000277717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000277717

0 1
O 2.134997 2.284112 1.606282
O 1.221484 -1.227517 -1.420044
O -4.738280 -2.995516 -0.225422
O -2.521550 -2.670277 0.184590
N 2.046183 0.463580 0.064188
N -3.711359 -2.229589 -0.063781
C -0.028294 1.502066 0.669229
C -0.293933 0.319659 -0.233987
C 1.491047 1.500469 0.872579
C 1.020197 -0.271262 -0.632686
C 3.456296 0.170978 -0.031042
C -1.451773 -0.299800 -0.612702
C -2.829610 0.142372 -0.326579
C 3.890265 -1.172378 -0.158279
C 4.400264 1.227428 0.008258
C -3.924031 -0.759298 -0.139707
C -3.157414 1.529385 -0.321605
C 5.270240 -1.450542 -0.249593
C 5.777262 0.932848 -0.077446
C -5.254508 -0.317395 0.027786
C -4.477318 1.986124 -0.139117
C 6.219151 -0.403523 -0.208229
C -5.534492 1.061793 0.034138
H -0.302821 2.476863 0.225065
H -0.539434 1.440799 1.646373
H -1.320686 -1.223550 -1.189694
H 3.161226 -1.984066 -0.200333
H 4.064613 2.260474 0.119893
H -2.363181 2.255825 -0.511528
H 5.601497 -2.489529 -0.350924
H 6.503915 1.751628 -0.042930
H -6.041684 -1.064096 0.159603
H -4.683512 3.061427 -0.145884
H 7.289412 -0.626210 -0.276805
H -6.562170 1.410821 0.172828


