%chk=000295417.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000295417

0 1
O 1.016469 3.305908 -0.216771
O 2.649465 1.164421 0.025711
N -0.958534 0.219236 -0.560035
C -2.382611 0.694090 -0.599306
C -0.789273 -1.066865 -1.312216
C -3.221158 -0.138201 0.384926
C 0.542321 -1.750031 -0.958319
C -0.025028 1.281438 -1.043946
C -4.647541 0.424366 0.550291
C 0.634717 -2.187834 0.518371
C 0.480508 2.045582 0.201471
C -5.485152 0.213358 -0.717668
C -5.332113 -0.233296 1.756780
C -0.423081 -3.238817 0.872855
C 2.040801 -2.727579 0.818659
C 1.548978 1.246474 0.966541
C 3.804420 0.461133 0.547239
C 4.846076 0.617280 -0.517487
C 6.068950 0.103127 -0.420420
H -2.408981 1.762914 -0.291186
H -2.824130 0.650250 -1.617558
H -1.632609 -1.739763 -1.033128
H -0.849751 -0.927669 -2.413403
H -2.707074 -0.159961 1.367199
H -3.263516 -1.193315 0.055234
H 0.681090 -2.624042 -1.621357
H 1.384012 -1.059335 -1.179974
H -0.482677 2.001622 -1.753337
H 0.847721 0.837602 -1.575181
H -4.577219 1.523715 0.746770
H 0.461737 -1.273251 1.152950
H -0.356250 2.336740 0.877072
H -5.033422 0.707005 -1.584210
H -5.588448 -0.849287 -0.961380
H -6.495028 0.620124 -0.598138
H -6.345173 0.157704 1.899587
H -5.416166 -1.318159 1.633048
H -4.776780 -0.049160 2.682480
H -1.434704 -2.840590 0.731083
H -0.327944 -4.135632 0.252688
H -0.339434 -3.551073 1.918763
H 2.126663 -3.056564 1.858947
H 2.289260 -3.585205 0.185002
H 2.810993 -1.957060 0.647560
H 1.885751 1.770846 1.874614
H 1.185518 0.223015 1.209424
H 1.905786 3.176831 -0.622844
H 3.518407 -0.607020 0.704152
H 4.110423 0.913349 1.507860
H 4.511411 1.192617 -1.386102
H 6.818042 0.217495 -1.191390
H 6.422177 -0.466831 0.426182


%chk=000295417-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000295417

0 1
O 1.206997 3.362333 -0.765109
O 2.681988 1.185596 0.038171
N -0.907739 0.207415 -0.732685
C -2.308683 0.689728 -0.569146
C -0.820841 -1.065055 -1.505691
C -3.088696 -0.082421 0.516434
C 0.432077 -1.901782 -1.160593
C -0.009282 1.263133 -1.268712
C -4.511374 0.472349 0.799961
C 0.436867 -2.501273 0.270851
C 0.519309 2.209030 -0.161732
C -5.452013 0.340562 -0.423356
C -5.125048 -0.238701 2.029898
C -0.619550 -3.620027 0.437586
C 1.844031 -3.035834 0.627468
C 1.464613 1.499796 0.816666
C 3.792823 0.716751 0.885941
C 4.913032 0.265734 -0.014445
C 6.198129 0.681532 0.098549
H -2.269246 1.756482 -0.274847
H -2.856062 0.652974 -1.543179
H -1.726868 -1.659305 -1.288775
H -0.836653 -0.863309 -2.606083
H -2.487585 -0.050341 1.446905
H -3.177375 -1.153121 0.237055
H 0.519571 -2.726757 -1.899623
H 1.334013 -1.269099 -1.286946
H -0.509733 1.892547 -2.040779
H 0.863135 0.787196 -1.750974
H -4.413199 1.552870 1.043085
H 0.180874 -1.676999 0.968572
H -0.327505 2.639193 0.402545
H -5.086000 0.915033 -1.293221
H -5.543068 -0.719794 -0.730264
H -6.466359 0.708983 -0.180779
H -6.124644 0.169079 2.270387
H -5.241195 -1.322867 1.836073
H -4.484352 -0.122315 2.923962
H -1.644272 -3.254407 0.241584
H -0.416827 -4.456223 -0.260288
H -0.604909 -4.027613 1.465803
H 1.872044 -3.445483 1.654843
H 2.143611 -3.846703 -0.065467
H 2.606390 -2.236689 0.555701
H 1.724140 2.176788 1.657497
H 0.997660 0.571099 1.201418
H 2.122386 3.042700 -0.989699
H 3.432001 -0.132839 1.509953
H 4.125484 1.528436 1.567696
H 4.628960 -0.461376 -0.787881
H 6.984505 0.298448 -0.560866
H 6.502337 1.416246 0.854643


