%chk=000180359.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180359

0 1
O 1.045818 1.423988 0.230663
O -0.487343 2.906375 -0.623676
O 2.513651 -3.230336 0.085650
N -1.137096 1.133161 0.746245
N 1.150563 -2.937990 0.040356
C -2.598352 1.156624 0.407168
C -0.792741 -0.239188 1.237940
C -3.199114 0.282835 1.534898
C -2.078357 -0.681296 1.982364
C -2.867381 0.605203 -1.007307
C -0.451680 -1.143864 0.065237
C -2.658640 -0.906678 -1.172166
C -1.255742 -1.398941 -0.978108
C -0.222697 1.908512 0.020850
C 0.936048 -1.658553 0.104660
C 2.240054 2.133125 -0.314026
C 2.300612 3.520793 0.303146
C 3.335686 1.192690 0.187833
C 2.129337 2.155449 -1.831769
C 2.680711 -4.680026 0.029345
H -2.953335 2.215286 0.465744
H 0.074775 -0.150791 1.939507
H -4.092685 -0.262686 1.192993
H -3.520754 0.919166 2.378037
H -1.927765 -0.627265 3.073560
H -2.329158 -1.730342 1.751699
H -2.223597 1.150560 -1.730780
H -3.907690 0.856376 -1.293672
H -3.008450 -1.192840 -2.187529
H -3.324174 -1.457164 -0.469867
H -0.900426 -2.050906 -1.783257
H 1.716495 -0.869732 0.188081
H 2.226569 3.481467 1.396322
H 3.229524 4.038334 0.045273
H 1.461773 4.145506 -0.047644
H 3.027931 0.138718 0.060090
H 3.537603 1.333776 1.255781
H 4.272674 1.339023 -0.357747
H 1.259746 2.752695 -2.154503
H 3.016897 2.595316 -2.296538
H 1.994998 1.148819 -2.243449
H 2.197143 -5.152705 0.888388
H 3.770906 -4.773102 0.076425
H 2.281262 -5.072692 -0.909415


%chk=000180359-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180359

0 1
O 1.098131 1.502815 0.272376
O -0.505234 2.904249 -0.787113
O 2.452871 -3.521867 0.141620
N -1.126144 1.062835 0.508985
N 1.064164 -3.159180 -0.158826
C -2.577707 1.166786 0.231561
C -0.825533 -0.202699 1.216534
C -3.189081 0.569256 1.528161
C -2.123792 -0.441691 2.067654
C -2.953716 0.398743 -1.063919
C -0.522905 -1.341717 0.226758
C -2.790998 -1.147504 -1.013577
C -1.398971 -1.707873 -0.764985
C -0.205298 1.905977 -0.070485
C 0.785976 -1.996299 0.397323
C 2.298192 2.277781 -0.250439
C 2.252344 3.723359 0.285643
C 3.473295 1.489435 0.355515
C 2.316439 2.217663 -1.791278
C 2.712880 -4.848503 -0.434501
H -2.834648 2.230907 0.095007
H 0.052435 -0.048178 1.864517
H -4.163853 0.087019 1.334824
H -3.354436 1.376668 2.262052
H -1.915624 -0.255937 3.134831
H -2.457697 -1.488226 1.972690
H -2.347898 0.810871 -1.892530
H -4.014403 0.621397 -1.297699
H -3.159837 -1.551534 -1.974840
H -3.483363 -1.549828 -0.241062
H -1.073454 -2.515560 -1.435036
H 1.542727 -1.478029 1.009697
H 2.183284 3.722934 1.388255
H 3.179227 4.253231 -0.001807
H 1.387966 4.265634 -0.128101
H 3.457228 0.440741 0.010596
H 3.420408 1.497954 1.458276
H 4.430609 1.946204 0.046666
H 1.453109 2.754825 -2.213902
H 3.245953 2.683829 -2.166774
H 2.292843 1.167861 -2.134019
H 2.055066 -5.611301 0.019806
H 3.767205 -5.059754 -0.192250
H 2.565838 -4.836593 -1.529402


