%chk=000183666.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183666

0 1
P -1.530957 -0.614180 0.500357
O -1.619015 0.984433 -0.092413
O -0.023762 -0.843158 -0.288017
O -1.443121 -0.642457 1.974624
O -0.565281 3.786106 -2.703844
O -0.195872 -4.327614 1.922207
O -1.867666 2.129563 -2.239079
O -1.226742 -2.847405 0.734702
N -1.041631 2.968324 -1.926223
N -0.210612 -3.283847 1.308659
C -2.874123 -1.331545 -0.555795
C -2.555899 -1.037693 -2.013561
C -4.170280 -0.689340 -0.077711
C -0.856886 1.992914 0.390074
C 1.036726 -1.319661 0.402572
C -0.576257 3.025455 -0.538677
C 1.005558 -2.506507 1.173018
C -0.394520 2.090779 1.718924
C 2.247469 -0.612866 0.230192
C 0.173620 4.146358 -0.119052
C 2.194338 -2.950411 1.803800
C 0.337565 3.204749 2.103868
C 3.399195 -1.078663 0.843950
C 0.628698 4.233718 1.187344
C 3.372842 -2.244783 1.639715
H -2.926072 -2.448194 -0.397178
H -3.349772 -1.421907 -2.668751
H -2.484693 0.047161 -2.228224
H -1.616503 -1.498086 -2.350172
H -5.021688 -1.086788 -0.651835
H -4.192452 0.401808 -0.234277
H -4.394705 -0.891201 0.979691
H -0.631324 1.306187 2.452266
H 2.244694 0.286939 -0.387950
H 0.386101 4.938091 -0.848268
H 2.155740 -3.860967 2.413685
H 0.690615 3.288454 3.134859
H 4.340856 -0.537222 0.718155
H 1.205200 5.098902 1.510699
H 4.288715 -2.585446 2.123068


%chk=000183666-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000183666

0 1
P -1.597835 -0.577913 0.565203
O -1.694603 1.082985 -0.051469
O -0.006990 -0.936114 -0.183684
O -1.589258 -0.675499 2.151371
O -0.505221 3.866845 -2.852361
O 0.171411 -4.853761 1.626487
O -2.229860 2.509981 -2.241110
O -1.145676 -3.259389 0.692314
N -1.161982 3.180037 -1.970283
N -0.005001 -3.664981 1.162777
C -2.964696 -1.280956 -0.539548
C -2.600803 -1.116246 -2.028534
C -4.288871 -0.581465 -0.156300
C -0.918778 2.161314 0.351290
C 1.082754 -1.458657 0.508894
C -0.649781 3.206260 -0.583117
C 1.135742 -2.736814 1.148000
C -0.384622 2.267550 1.662806
C 2.257933 -0.667062 0.495647
C 0.140557 4.320626 -0.212822
C 2.332050 -3.185644 1.763977
C 0.392284 3.385128 2.024355
C 3.444448 -1.119608 1.100396
C 0.658091 4.416808 1.090483
C 3.481861 -2.381785 1.746316
H -2.989410 -2.346775 -0.256615
H -3.396349 -1.592451 -2.631070
H -2.541707 -0.050970 -2.307513
H -1.644164 -1.605397 -2.277622
H -5.106813 -1.066742 -0.719379
H -4.263777 0.486027 -0.432184
H -4.517716 -0.672328 0.920209
H -0.598909 1.472115 2.383896
H 2.204085 0.305463 -0.002655
H 0.332381 5.089472 -0.966220
H 2.326315 -4.169939 2.239599
H 0.786006 3.452809 3.044059
H 4.337613 -0.486790 1.075838
H 1.256845 5.286024 1.378233
H 4.400545 -2.732158 2.225741


