%chk=000239125.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239125

0 1
O 0.278392 -3.280685 1.864966
N -5.000239 2.232851 0.028545
N 4.737584 2.308912 0.213463
C -0.117407 -0.774154 0.730949
C -1.379851 0.022551 0.467814
C 1.157470 0.031708 0.566973
C 0.004835 -2.021203 -0.119875
C -1.449494 1.373277 0.846104
C 2.193790 -0.119548 1.499469
C -2.524819 -0.576234 -0.075288
C 1.343788 0.907682 -0.511895
C 0.215444 -3.280072 0.486788
C -0.052112 -1.984473 -1.515947
C -3.762059 1.515770 0.095533
C 3.575897 1.473926 0.281966
C -2.612411 2.115029 0.659155
C 3.387602 0.586103 1.365087
C -3.696710 0.153235 -0.269508
C 2.531325 1.620005 -0.659416
C 0.352241 -4.460391 -0.253810
C 0.083980 -3.153047 -2.277050
C 0.284688 -4.383399 -1.648469
C -4.887690 3.717883 -0.033201
C -5.988891 1.729595 -0.966942
C 5.943909 1.805956 0.930047
C 5.094015 2.814750 -1.142747
H -0.193983 -1.099400 1.813062
H -0.578130 1.855780 1.293802
H 2.069508 -0.803788 2.340037
H -2.510471 -1.631695 -0.351498
H 0.545602 1.038749 -1.243638
H -0.208204 -1.026988 -2.016252
H -2.629195 3.157122 0.969846
H 4.166172 0.451947 2.111886
H -4.565427 -0.348596 -0.688680
H 2.638789 2.300185 -1.500874
H 0.510406 -5.413188 0.239162
H 0.035080 -3.096845 -3.361789
H 0.390734 -5.290077 -2.242633
H -4.338212 4.080374 0.853701
H -5.894631 4.163053 0.012029
H -4.379356 4.090483 -0.935552
H -6.929014 2.295592 -0.866738
H -6.226440 0.674132 -0.745000
H -5.647084 1.799198 -2.010870
H 5.701996 1.663421 1.998087
H 6.740765 2.565557 0.882571
H 6.338194 0.858810 0.530996
H 4.244220 3.386495 -1.555679
H 5.362621 2.022385 -1.858124
H 5.940309 3.515641 -1.060773
H 0.403974 -4.190875 2.225911


%chk=000239125-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239125

0 1
O 1.184141 -3.429146 0.954761
N -4.869676 2.338354 -0.019900
N 4.860166 2.110353 0.535026
C -0.089450 -0.972544 0.438694
C -1.325862 -0.065007 0.318719
C 1.234890 -0.190048 0.437663
C -0.089216 -2.101298 -0.603232
C -1.295025 1.210056 -0.295295
C 1.706739 0.397060 1.637727
C -2.575798 -0.512741 0.817301
C 2.009435 0.012892 -0.729333
C 0.585174 -3.320356 -0.317840
C -0.711213 -1.982578 -1.867552
C -3.712519 1.552048 0.088506
C 3.674334 1.359966 0.502423
C -2.452583 2.006416 -0.412151
C 2.892606 1.152982 1.683426
C -3.744388 0.263834 0.712276
C 3.200789 0.766687 -0.709037
C 0.640384 -4.374808 -1.257803
C -0.662361 -3.024515 -2.823393
C 0.017943 -4.223763 -2.517327
C -4.800840 3.656716 -0.656648
C -6.145606 1.841360 0.503009
C 5.325459 2.691282 1.797543
C 5.646035 2.288426 -0.688904
H -0.149404 -1.470929 1.427235
H -0.343273 1.598368 -0.675407
H 1.131344 0.257566 2.562010
H -2.636748 -1.498377 1.297440
H 1.686959 -0.437741 -1.675290
H -1.253297 -1.057644 -2.093274
H -2.369531 2.987129 -0.889989
H 3.212365 1.577668 2.639574
H -4.679995 -0.130873 1.119314
H 3.763357 0.886492 -1.639706
H 1.164131 -5.308109 -1.009438
H -1.153985 -2.901253 -3.794327
H 0.061458 -5.040836 -3.246082
H -4.102808 4.337282 -0.125766
H -5.799452 4.122263 -0.646223
H -4.467663 3.590269 -1.713564
H -6.932868 2.591187 0.323852
H -6.100876 1.650721 1.595784
H -6.456697 0.897506 0.008464
H 4.583603 3.396763 2.226361
H 6.259288 3.249637 1.622795
H 5.532284 1.914076 2.563309
H 5.065913 2.805823 -1.481396
H 5.993627 1.319391 -1.104951
H 6.535882 2.899985 -0.468882
H 1.654324 -4.294493 1.045200


