%chk=000190962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000190962

0 1
O -0.380875 -1.018794 0.797459
O -1.250615 -2.757712 -0.360657
O -0.501641 2.047175 -0.841582
N -3.129630 -1.077552 -1.659605
N -2.130619 2.544010 0.643697
N -1.321902 2.808039 -0.300403
C -2.202151 -0.503007 -0.661110
C -3.009732 0.196926 0.446258
C -2.176264 1.199424 1.256929
C -1.265022 -1.580400 -0.089311
C 0.759707 -1.813896 1.243005
C 1.982071 -1.373397 0.485890
C 3.124876 -2.186929 0.506322
C 1.995877 -0.161143 -0.216897
C 4.276768 -1.783258 -0.173732
C 3.149850 0.233420 -0.899214
C 4.291241 -0.574175 -0.877475
C -1.367747 4.209832 -0.819345
H -1.540185 0.257565 -1.184288
H -3.876533 0.717214 -0.023110
H -3.455393 -0.550192 1.131580
H -1.151824 0.789190 1.455000
H -2.654209 1.367089 2.252845
H -3.696667 -1.821382 -1.258446
H -2.618503 -1.481502 -2.442330
H 0.535594 -2.890798 1.109701
H 0.821743 -1.560869 2.318407
H 3.118175 -3.132029 1.045113
H 1.100736 0.472125 -0.236001
H 5.163777 -2.413985 -0.158074
H 3.155376 1.173344 -1.449342
H 5.188731 -0.264330 -1.408593
H -0.353629 4.648370 -0.798743
H -2.048842 4.852072 -0.231021
H -1.709941 4.205955 -1.870728


%chk=000190962-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000190962

0 1
O -0.393660 -0.992181 0.935771
O -0.934394 -2.624068 -0.639294
O -0.209483 2.327774 -0.230321
N -3.119193 -1.078821 -1.614019
N -2.477978 2.580202 0.420446
N -1.385991 2.931562 -0.221927
C -2.206207 -0.484788 -0.623077
C -3.024503 0.142900 0.542726
C -2.352470 1.347117 1.252623
C -1.136750 -1.497559 -0.133210
C 0.811482 -1.773628 1.352850
C 2.027301 -1.394083 0.525694
C 3.011454 -2.371740 0.240645
C 2.211634 -0.063681 0.070106
C 4.179170 -2.024378 -0.475825
C 3.375101 0.278118 -0.654815
C 4.364531 -0.696412 -0.924473
C -1.490395 4.175978 -1.048627
H -1.634143 0.323122 -1.120118
H -3.981031 0.481933 0.104659
H -3.255946 -0.626071 1.304709
H -1.304178 1.112750 1.503968
H -2.924666 1.570474 2.170531
H -3.739892 -1.784691 -1.196421
H -2.616392 -1.492538 -2.409129
H 0.589725 -2.852163 1.271266
H 0.930233 -1.492723 2.413529
H 2.861269 -3.407842 0.568789
H 1.441569 0.691543 0.260660
H 4.933981 -2.788746 -0.692514
H 3.506191 1.306500 -1.009915
H 5.266393 -0.426092 -1.485508
H -0.733094 4.886800 -0.683398
H -2.504789 4.583531 -0.952311
H -1.262280 3.908302 -2.091867


