%chk=000216248.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216248

0 1
O 6.586324 1.929071 1.162794
O -5.956624 1.057832 0.273510
O -6.935072 -1.317511 -0.233697
N 3.339084 1.160056 -0.344824
N 1.237508 -2.114984 2.228270
N -5.559032 -1.183538 0.048926
C 3.002025 0.119510 -1.369784
C 3.257526 -1.290266 -0.795964
C 2.247578 -1.676722 0.223199
C 2.582979 2.436879 -0.574842
C 4.809391 1.422582 -0.277627
C 0.882628 -2.079105 -0.036762
C 0.273635 -2.348811 1.237375
C 2.435100 -1.706807 1.596714
C 1.095132 2.232681 -0.411225
C 5.163323 1.684419 1.195457
C 0.113404 -2.234171 -1.204219
C -1.069060 -2.765191 1.351309
C 0.591298 1.316357 0.523320
C 0.203528 2.977509 -1.199854
C -1.204908 -2.643001 -1.088566
C -1.788077 -2.908412 0.178306
C -0.782496 1.104839 0.631673
C -1.173058 2.786751 -1.074203
C -1.675310 1.830945 -0.174502
C -3.123759 1.594261 -0.099750
C -3.661072 0.369847 0.020329
C -5.123763 0.190348 0.078544
H 1.923556 0.206025 -1.636927
H 3.571733 0.246134 -2.314536
H 3.244849 -2.023888 -1.630049
H 4.278644 -1.344737 -0.362836
H 2.807545 2.894175 -1.564730
H 2.919721 3.173924 0.194078
H 5.152577 2.274670 -0.902852
H 5.389700 0.541948 -0.632626
H 3.313540 -1.463414 2.165807
H 1.113021 -2.240174 3.212277
H 4.654614 2.573898 1.603356
H 4.954858 0.808113 1.832244
H 0.559227 -2.033523 -2.175744
H -1.510386 -2.969800 2.320751
H 1.286545 0.740379 1.142368
H 0.580404 3.704938 -1.916377
H -1.813666 -2.773988 -1.980144
H -2.824754 -3.241240 0.217556
H -1.161428 0.367382 1.340580
H -1.857680 3.369049 -1.689767
H 6.924289 2.070036 2.065122
H -3.762029 2.486850 -0.163768
H -3.042191 -0.530271 0.081583
H -5.112574 -1.833630 -0.601258
H -7.405242 -0.704026 0.433085


%chk=000216248-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216248

0 1
O 6.211280 2.129983 1.754513
O -6.217608 1.481112 -0.416618
O -7.506553 -0.489272 0.725117
N 3.319847 1.173303 -0.414508
N 1.682571 -2.506820 2.087683
N -6.074777 -0.446448 0.785993
C 3.203442 0.120607 -1.453360
C 3.546387 -1.310140 -0.944947
C 2.590682 -1.857609 0.085537
C 2.523016 2.384239 -0.717056
C 4.709973 1.493474 -0.013987
C 1.231582 -2.325753 -0.144628
C 0.685764 -2.723264 1.129224
C 2.824470 -1.988473 1.453524
C 1.014061 2.174942 -0.623062
C 4.801137 1.797151 1.488454
C 0.419144 -2.447839 -1.303521
C -0.625254 -3.231223 1.268370
C 0.465686 1.171165 0.216976
C 0.128289 3.004005 -1.355798
C -0.889546 -2.951041 -1.173290
C -1.407130 -3.338420 0.099041
C -0.923877 0.982995 0.303097
C -1.266211 2.832800 -1.252808
C -1.822919 1.808218 -0.433840
C -3.280209 1.643995 -0.399137
C -3.983541 0.639744 0.210862
C -5.452967 0.614967 0.154715
H 2.159150 0.125104 -1.814107
H 3.853786 0.345126 -2.336555
H 3.561332 -1.972542 -1.834590
H 4.576779 -1.320168 -0.541503
H 2.767308 2.804647 -1.726606
H 2.816708 3.165469 0.012669
H 5.129271 2.357312 -0.580589
H 5.365208 0.631178 -0.226057
H 3.722575 -1.752015 2.021939
H 1.604181 -2.718512 3.079427
H 4.136136 2.646328 1.755033
H 4.476882 0.905394 2.063746
H 0.801539 -2.154683 -2.287830
H -1.021962 -3.541880 2.241891
H 1.156342 0.529841 0.773168
H 0.532627 3.784073 -2.013190
H -1.525570 -3.048731 -2.059922
H -2.425277 -3.739158 0.164966
H -1.310682 0.181408 0.942338
H -1.939975 3.481866 -1.825679
H 6.322090 2.366518 2.708854
H -3.878870 2.400175 -0.927850
H -3.477625 -0.177507 0.741358
H -5.676617 -1.253639 1.260496
H -7.678971 0.362197 0.193147


