%chk=000218081.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218081

0 1
O 7.741208 -1.699942 0.281330
O -7.426126 -1.115571 0.004468
N 5.287976 -0.327093 -0.223382
N 1.988840 1.472603 0.010345
N 0.198093 -0.123583 0.009914
N -1.055830 -0.439083 -0.019271
C 5.669012 -0.743917 1.166645
C 6.521669 -0.021449 -1.020895
C 4.364209 0.852147 -0.201192
C 6.570425 -1.985473 1.074118
C 7.403055 -1.280894 -1.056440
C 2.940333 0.324868 0.068679
C 0.613041 1.196101 0.104730
C -0.355497 2.251723 0.186987
C -1.694065 1.882274 0.154849
C -2.039749 0.511456 0.054809
C 0.057530 3.679387 0.285300
C -3.439096 0.054707 0.020170
C -4.411450 0.680675 0.827278
C -3.811265 -1.015725 -0.808932
C -5.734399 0.260895 0.794306
C -5.136995 -1.454023 -0.859711
C -6.085544 -0.808500 -0.057493
C -7.907481 -2.213760 -0.807611
H 4.740914 -0.995240 1.723978
H 6.190266 0.057267 1.733059
H 7.103092 0.832584 -0.612786
H 6.212810 0.246822 -2.054058
H 4.652730 1.624068 0.542622
H 4.381058 1.350649 -1.197305
H 6.037103 -2.845910 0.631918
H 7.005028 -2.261193 2.050360
H 8.393356 -1.085476 -1.502681
H 6.901563 -2.115129 -1.578855
H 2.654979 -0.422870 -0.713627
H 2.882356 -0.217025 1.037828
H 2.294537 2.291433 0.536859
H -2.479919 2.636095 0.193083
H 0.595743 3.883866 1.221628
H 0.714810 3.962897 -0.552386
H -0.800596 4.366243 0.256657
H -4.123139 1.494877 1.492501
H -3.053587 -1.515591 -1.418614
H -6.499701 0.728663 1.408814
H -5.406652 -2.280917 -1.507607
H -7.760577 -1.994221 -1.868876
H -8.975227 -2.229474 -0.552776
H -7.420242 -3.147343 -0.511736


%chk=000218081-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000218081

0 1
O 7.964004 -1.550970 0.132513
O -7.629922 -0.953156 -0.345841
N 5.356626 -0.318731 -0.249358
N 1.964315 1.257152 0.299059
N 0.155932 -0.212978 0.007123
N -1.181270 -0.469847 -0.083124
C 5.791400 -0.811507 1.084438
C 6.538157 0.102929 -1.047823
C 4.316799 0.728678 -0.181014
C 6.790811 -1.968316 0.918462
C 7.522519 -1.069545 -1.186875
C 2.924298 0.151722 0.147449
C 0.593789 1.078087 0.239902
C -0.312118 2.187844 0.391577
C -1.672656 1.886146 0.298244
C -2.103118 0.543504 0.064247
C 0.204129 3.591243 0.617754
C -3.532101 0.149386 -0.042144
C -4.595669 1.056619 0.232978
C -3.875697 -1.174339 -0.426029
C -5.939331 0.661882 0.123515
C -5.218204 -1.586080 -0.539509
C -6.259135 -0.662596 -0.265476
C -8.010814 -2.311466 -0.740559
H 4.914217 -1.173146 1.650789
H 6.272943 0.007356 1.678462
H 7.068824 0.967398 -0.573686
H 6.198772 0.416774 -2.053040
H 4.581219 1.525587 0.568453
H 4.261517 1.224892 -1.168348
H 6.287386 -2.822297 0.416712
H 7.189123 -2.291740 1.894223
H 8.441273 -0.758028 -1.710845
H 7.035535 -1.898184 -1.744679
H 2.581991 -0.510254 -0.663882
H 2.951910 -0.468599 1.066525
H 2.323472 2.160605 0.607060
H -2.402703 2.696286 0.390545
H 0.782040 3.669271 1.560968
H 0.870299 3.913930 -0.206930
H -0.626126 4.314268 0.680528
H -4.386181 2.084533 0.548154
H -3.059890 -1.873709 -0.630384
H -6.756542 1.357508 0.337138
H -5.439088 -2.615034 -0.839323
H -7.639996 -2.554827 -1.755237
H -9.110723 -2.313701 -0.737051
H -7.633420 -3.061654 -0.018660


