%chk=000244504.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244504

0 1
O 0.333162 1.402091 0.929751
O 0.479077 0.688772 -1.281668
O 1.714594 -1.415406 1.869460
O 1.874792 -2.115570 -0.169004
N 1.918661 -1.249041 0.681417
C 2.355564 0.166538 0.236107
C 1.730342 1.218619 1.183239
C 1.886200 0.429285 -1.211145
C 0.015143 1.744570 -0.430231
C 3.895930 0.207879 0.352548
C -1.520179 1.773211 -0.579871
C -2.188583 0.432652 -0.353627
C 4.615515 -0.698525 -0.637571
C -2.100154 2.825655 0.369561
C -3.120824 -0.030560 -1.295255
C -1.917337 -0.337019 0.786553
C -3.772339 -1.250822 -1.094977
C -2.567861 -1.557878 0.980146
C -3.498301 -2.016744 0.042113
H 1.730687 0.880254 2.243276
H 2.249118 2.189211 1.093449
H 2.439747 1.274562 -1.655729
H 1.982066 -0.475766 -1.852392
H 0.515070 2.696677 -0.695655
H 4.192150 -0.061466 1.390333
H 4.239752 1.253886 0.211830
H -1.711899 2.092394 -1.640943
H 4.550235 -0.327525 -1.667029
H 5.682237 -0.780257 -0.391117
H 4.211020 -1.722549 -0.640491
H -3.196366 2.835098 0.319617
H -1.745944 3.833632 0.134856
H -1.826841 2.606754 1.412456
H -3.336537 0.552701 -2.187308
H -1.182088 0.014077 1.515696
H -4.491892 -1.606595 -1.829525
H -2.343262 -2.155488 1.862307
H -4.002254 -2.968207 0.194122


%chk=000244504-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244504

0 1
O 0.349259 1.256047 1.018988
O 0.462178 0.600480 -1.294600
O 2.082590 -1.504014 1.868835
O 1.860354 -2.131994 -0.304765
N 2.072625 -1.256565 0.606731
C 2.452153 0.198464 0.171102
C 1.804753 1.193319 1.165498
C 1.924517 0.469440 -1.254570
C -0.015778 1.610988 -0.357116
C 4.004101 0.286315 0.265313
C -1.543947 1.725416 -0.489232
C -2.289237 0.401447 -0.298026
C 4.781697 -0.671647 -0.662498
C -2.070251 2.837753 0.454810
C -3.043087 -0.137977 -1.369879
C -2.284504 -0.288750 0.942420
C -3.778608 -1.334894 -1.213640
C -3.014241 -1.487188 1.100153
C -3.767139 -2.014636 0.025086
H 1.994734 0.885069 2.203643
H 2.251236 2.195401 0.977520
H 2.405180 1.406254 -1.616331
H 2.157244 -0.359255 -1.936424
H 0.479909 2.587268 -0.596038
H 4.289863 0.104146 1.319148
H 4.284131 1.332968 0.034522
H -1.707639 2.052389 -1.535069
H 4.578828 -0.469931 -1.729192
H 5.866658 -0.545391 -0.500607
H 4.533102 -1.728713 -0.465139
H -3.153631 2.980878 0.301600
H -1.562296 3.801968 0.260740
H -1.901445 2.569198 1.510821
H -3.047464 0.378602 -2.337964
H -1.690828 0.101645 1.774320
H -4.353224 -1.736612 -2.056202
H -2.990747 -2.013689 2.061221
H -4.332644 -2.945100 0.150123


