%chk=000222170.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000222170

0 1
O 1.020471 -3.805936 0.113534
O -0.480754 2.410532 -0.312732
O -3.616228 -1.938836 0.111202
N 1.686123 1.019253 -0.139823
N -1.557264 -3.532553 0.499525
C -0.556529 0.062008 -0.036253
C -1.396141 -1.103319 0.087130
C 0.848402 -0.086667 -0.044598
C -2.641048 1.532091 -0.080991
C -3.462532 0.401816 0.023145
C -1.155894 1.391445 -0.151694
C -2.870484 -0.965596 0.078282
C -0.839977 -2.377018 0.204581
C 0.618151 -2.494590 0.102536
C 1.428428 -1.404480 -0.013077
C -3.213473 2.810548 -0.124976
C -4.855119 0.550901 0.081545
C 3.098212 1.019761 0.097610
C -4.602768 2.956307 -0.063952
C -5.422735 1.827892 0.038567
C 3.904319 1.802962 -0.752851
C 3.669752 0.320702 1.176159
C 2.439472 -4.083964 -0.013218
C 5.278533 1.866817 -0.523121
C 5.048404 0.394557 1.384820
C 5.855593 1.160983 0.538900
H 2.507479 -1.506354 -0.118240
H 1.249013 1.952318 -0.341909
H -2.559447 3.684040 -0.208422
H -5.483909 -0.341017 0.160471
H -5.045645 3.951561 -0.097096
H -6.505465 1.942230 0.085097
H -2.574232 -3.508515 0.378397
H -1.122670 -4.420060 0.289473
H 3.459774 2.350911 -1.582228
H 3.041067 -0.250903 1.857362
H 2.453083 -5.181398 0.026063
H 2.985202 -3.652220 0.831249
H 2.812349 -3.716973 -0.974310
H 5.906463 2.470860 -1.178364
H 5.494749 -0.142878 2.221380
H 6.928475 1.215081 0.709325


%chk=000222170-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000222170

0 1
O 0.957302 -3.938088 0.146775
O -0.366630 2.425765 -0.235296
O -3.708812 -1.983605 0.206422
N 1.698617 0.932541 -0.063847
N -1.666758 -3.575941 0.262477
C -0.563291 0.021054 0.012220
C -1.441086 -1.130765 0.098818
C 0.865575 -0.172031 0.021473
C -2.593245 1.533004 -0.075086
C -3.455283 0.402816 0.032718
C -1.120506 1.366888 -0.101321
C -2.900020 -0.970585 0.117182
C -0.894245 -2.450384 0.171899
C 0.547681 -2.601927 0.125688
C 1.396990 -1.506308 0.058702
C -3.151443 2.835352 -0.161893
C -4.861755 0.590935 0.053956
C 3.103262 1.006553 0.110247
C -4.546758 3.012240 -0.138429
C -5.405898 1.885436 -0.029918
C 3.817539 1.964024 -0.663392
C 3.811446 0.235020 1.075018
C 2.396285 -4.217626 0.088591
C 5.206915 2.129147 -0.491353
C 5.204225 0.400495 1.231516
C 5.913249 1.341256 0.448571
H 2.477103 -1.643901 -0.014483
H 1.140697 1.818789 -0.222493
H -2.464490 3.682686 -0.245972
H -5.496214 -0.296775 0.136032
H -4.972556 4.019519 -0.203951
H -6.492198 2.026117 -0.012370
H -2.690847 -3.416270 0.275255
H -1.214066 -4.487494 0.296309
H 3.273394 2.565522 -1.400104
H 3.267131 -0.447602 1.735323
H 2.479970 -5.313153 0.121306
H 2.918721 -3.772716 0.956464
H 2.834307 -3.833264 -0.851569
H 5.740258 2.870355 -1.096922
H 5.733396 -0.192848 1.986089
H 6.993236 1.468067 0.577844


