%chk=000180693.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180693

0 1
P 1.376478 0.707500 1.087231
O -0.227457 0.246577 1.439127
O 1.068153 2.310456 1.258338
O 2.348660 0.048284 1.980202
O -1.286107 0.769483 -1.340837
O -3.345096 0.593248 -0.433667
N 1.548511 0.553711 -0.597702
C 2.564368 -0.366623 -1.211717
C 3.969615 0.004650 -0.712289
C 2.247741 -1.836116 -0.870892
C 2.474829 -0.157917 -2.737538
C -0.630815 -0.998955 1.037152
C 0.808725 2.766943 2.620168
C -1.649768 -1.067791 0.067112
C -0.114382 -2.159446 1.639445
C -2.163907 -2.325019 -0.285682
C 2.081342 2.812427 3.442268
C -1.610905 2.104589 -1.904045
C -2.223733 0.157496 -0.538408
C -0.632984 -3.395666 1.262151
C -1.652410 -3.481689 0.301840
C -0.612556 2.233827 -3.042258
C -1.431520 3.127711 -0.799268
H 0.721261 0.760040 -1.205845
H 4.183352 1.070056 -0.855302
H 4.739036 -0.561210 -1.246208
H 4.105289 -0.214124 0.359438
H 2.877456 -2.518973 -1.450149
H 2.435117 -2.065480 0.186921
H 1.204914 -2.093277 -1.086174
H 1.489290 -0.428636 -3.131706
H 3.213480 -0.773613 -3.261260
H 2.670670 0.885736 -3.009582
H 0.015707 2.146458 3.080614
H 0.407015 3.781558 2.417223
H 0.669416 -2.082141 2.397141
H -2.968086 -2.389749 -1.021642
H -2.662983 2.055107 -2.263397
H 2.889829 3.326288 2.904627
H 2.463208 1.806689 3.690001
H 1.923532 3.339818 4.389923
H -0.245377 -4.306328 1.722275
H -2.051164 -4.455012 0.021596
H -0.790972 3.148855 -3.619440
H -0.679471 1.381340 -3.730100
H 0.422855 2.274919 -2.674291
H -1.528268 4.151348 -1.175468
H -2.181160 2.989531 -0.006718
H -0.444827 3.047919 -0.313207


%chk=000180693-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180693

0 1
P 1.411063 0.444198 1.061717
O -0.333416 0.190518 1.300658
O 1.392233 2.152353 1.306682
O 2.365674 -0.383797 2.034549
O -1.296498 0.786606 -1.291751
O -3.561163 0.243330 -1.155805
N 1.583759 0.203235 -0.607860
C 2.812544 -0.322488 -1.288753
C 4.050727 0.497559 -0.845433
C 3.012530 -1.825044 -0.953840
C 2.567810 -0.139258 -2.805889
C -0.918887 -1.060597 1.012936
C 1.185666 2.673282 2.697486
C -1.945551 -1.133171 0.030843
C -0.568908 -2.197252 1.778088
C -2.654594 -2.354697 -0.121792
C 2.488351 2.667946 3.502334
C -1.652519 2.085055 -1.992185
C -2.371719 0.015827 -0.825518
C -1.253847 -3.413420 1.575963
C -2.308233 -3.491634 0.633851
C -0.491183 2.385422 -2.942146
C -1.868224 3.156019 -0.913879
H 0.731176 0.372563 -1.159393
H 3.911124 1.567850 -1.079248
H 4.953888 0.134048 -1.368180
H 4.221736 0.392167 0.241297
H 3.904308 -2.220904 -1.474283
H 3.150564 -1.959486 0.133345
H 2.131737 -2.412442 -1.270343
H 1.670945 -0.697521 -3.134265
H 3.434049 -0.525147 -3.371053
H 2.435334 0.928079 -3.058547
H 0.391766 2.082664 3.192837
H 0.811964 3.696657 2.525325
H 0.228524 -2.107401 2.522776
H -3.475665 -2.389208 -0.845438
H -2.588612 1.895543 -2.548059
H 3.267575 3.253643 2.984601
H 2.854837 1.637288 3.644292
H 2.313806 3.123559 4.495724
H -0.977109 -4.293111 2.167116
H -2.855271 -4.429342 0.493783
H -0.719425 3.296604 -3.523928
H -0.332256 1.555210 -3.652450
H 0.443146 2.562341 -2.379994
H -2.078534 4.131139 -1.390650
H -2.724622 2.896933 -0.268847
H -0.964696 3.253080 -0.286674


