%chk=000220782.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220782

0 1
O -5.691116 -1.486749 -0.026497
O -6.137975 0.628417 0.019638
N 0.203749 0.871466 0.034491
N 0.634750 2.195822 0.061571
N 1.365736 -1.358031 -0.007169
N 3.805259 -1.175203 0.001041
N 4.921311 0.917127 0.045032
N -5.358743 -0.311805 0.000010
C 1.322892 0.006017 0.019720
C 2.483412 0.856975 0.038959
C -1.194934 0.565693 0.025642
C 3.751372 0.206103 0.028496
C 1.975525 2.203892 0.064566
C 2.632533 -1.888972 -0.015514
C -1.624556 -0.775688 -0.003520
C -2.134082 1.621866 0.046319
C -2.986517 -1.058982 -0.011896
C -3.492348 1.332601 0.037972
C -3.917766 -0.007668 0.008856
C 2.749797 -3.374274 -0.047104
C 6.238523 0.248914 0.034615
H 2.551020 3.117384 0.083806
H -0.902460 -1.602878 -0.019699
H -1.795089 2.662700 0.068722
H 4.903496 1.928546 0.065823
H -3.339776 -2.097107 -0.034658
H -4.237148 2.137349 0.053811
H 1.765729 -3.869147 -0.007687
H 3.259545 -3.709725 -0.965507
H 3.350028 -3.743303 0.800875
H 6.351141 -0.387106 -0.865293
H 6.348037 -0.421114 0.909867
H 7.045656 0.995779 0.050312


%chk=000220782-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000220782

0 1
O -5.720667 -1.556675 -0.021323
O -6.186565 0.677275 0.019361
N 0.215618 0.868666 0.033650
N 0.611859 2.226214 0.061063
N 1.356356 -1.341693 -0.007429
N 3.797633 -1.160283 0.002052
N 4.941380 0.890789 0.046080
N -5.357187 -0.315496 0.002194
C 1.334041 0.023995 0.019387
C 2.480111 0.874964 0.039143
C -1.173860 0.558177 0.025065
C 3.752828 0.208361 0.029155
C 1.964476 2.213068 0.064280
C 2.619801 -1.868993 -0.014744
C -1.607914 -0.794939 -0.000564
C -2.115763 1.622035 0.042818
C -2.983720 -1.078717 -0.008063
C -3.489346 1.335116 0.035262
C -3.910725 -0.013711 0.009950
C 2.746273 -3.370603 -0.051488
C 6.245654 0.212670 0.036635
H 2.489826 3.167042 0.084352
H -0.863413 -1.594450 -0.014029
H -1.752547 2.651081 0.062309
H 4.913000 1.908988 0.066142
H -3.349803 -2.108279 -0.027558
H -4.238169 2.130857 0.048550
H 1.751892 -3.839197 -0.019339
H 3.271551 -3.686281 -0.970840
H 3.352716 -3.723774 0.800956
H 6.356272 -0.415505 -0.864287
H 6.353400 -0.446267 0.915717
H 7.041996 0.974466 0.051145


