%chk=000256576.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256576

0 1
P 0.006768 -0.267123 0.688999
O -0.032235 -1.908387 0.705223
O -1.170667 0.135241 -0.466276
O -0.226549 0.266995 2.041258
O -7.167398 0.404587 1.395052
O -7.390812 0.313040 -0.753836
N -6.713752 0.338907 0.263244
N 9.917498 0.939351 -0.836336
C 2.734537 -0.031267 0.485576
C 3.985382 0.419909 -0.286998
C 1.468043 0.312490 -0.293311
C 5.266144 0.108337 0.498640
C 6.512094 0.542585 -0.282072
C 7.794885 0.245336 0.512305
C 0.294047 -2.683872 -0.473933
C -2.504320 0.171237 -0.170781
C -0.782098 -2.591523 -1.536715
C -3.051358 0.253117 1.120509
C -3.317880 0.155651 -1.326894
C 8.977351 0.632421 -0.238662
C -4.434303 0.308214 1.255713
C -4.694989 0.215233 -1.180065
C -5.253744 0.285005 0.112006
H 2.808024 -1.121503 0.685778
H 2.731458 0.461718 1.484568
H 4.017749 -0.074233 -1.277124
H 3.926466 1.506587 -0.495485
H 1.392041 1.410758 -0.457374
H 1.475398 -0.121949 -1.311705
H 5.318189 -0.975015 0.723822
H 5.237410 0.619343 1.481830
H 6.548997 0.025391 -1.262016
H 6.458956 1.625392 -0.515542
H 7.851461 -0.839149 0.767465
H 7.778422 0.782896 1.489936
H 0.342338 -3.702693 -0.027503
H 1.296125 -2.407834 -0.848911
H -1.783546 -2.740270 -1.103632
H -0.805050 -1.620154 -2.050003
H -0.647626 -3.363772 -2.305131
H -2.417405 0.291133 2.019107
H -2.850763 0.107968 -2.308915
H -4.894775 0.372242 2.250012
H -5.357113 0.206759 -2.054226


%chk=000256576-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256576

0 1
P 0.135444 -0.502942 0.569224
O 0.104684 -2.223862 0.384663
O -1.099414 0.081810 -0.574497
O -0.043716 -0.091603 2.090687
O -7.164460 0.698056 1.380164
O -7.403896 0.873053 -0.882920
N -6.683987 0.715505 0.180240
N 10.154447 1.639534 -0.552224
C 2.938237 -0.168574 0.443507
C 4.165402 0.477669 -0.239865
C 1.637035 0.150111 -0.324203
C 5.483127 0.182141 0.511479
C 6.706032 0.839110 -0.164946
C 8.021379 0.535763 0.606384
C -0.150617 -2.887571 -0.931672
C -2.473605 0.215642 -0.308298
C -1.554453 -3.492087 -0.944185
C -3.024852 0.211918 1.000393
C -3.295237 0.390683 -1.450678
C 9.206384 1.141821 -0.025232
C -4.413706 0.374026 1.154677
C -4.680397 0.558644 -1.293303
C -5.226186 0.544416 0.011425
H 3.080112 -1.265360 0.506945
H 2.853562 0.202679 1.483157
H 4.247636 0.111757 -1.284164
H 4.017053 1.575369 -0.301139
H 1.481712 1.240068 -0.415388
H 1.639029 -0.283259 -1.340173
H 5.636082 -0.915387 0.569174
H 5.398047 0.543931 1.556770
H 6.803184 0.475533 -1.205728
H 6.563012 1.935070 -0.221220
H 8.177645 -0.558679 0.671402
H 7.944841 0.909980 1.645779
H 0.625840 -3.669044 -0.998631
H -0.015429 -2.167847 -1.762939
H -1.690674 -4.159790 -0.077032
H -2.330513 -2.708914 -0.909169
H -1.700506 -4.085654 -1.866524
H -2.374884 0.095327 1.872989
H -2.831635 0.397366 -2.441019
H -4.875710 0.375825 2.145332
H -5.342650 0.696863 -2.151642


