%chk=000249867.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249867

0 1
P 0.013707 -0.013978 0.042423
O 0.025405 -0.036719 1.535410
N -1.462000 0.652468 -0.649714
N 1.311137 0.942218 -0.667069
N 0.175327 -1.604048 -0.696908
C -2.789414 0.315793 -0.034678
C 1.700741 2.248531 -0.038209
C 1.126779 -2.604420 -0.107265
C -2.429900 -0.181675 -1.425965
C 1.053578 2.211580 -1.413783
C 1.384627 -2.003355 -1.480077
C -3.728417 1.488486 0.157493
C 3.190603 2.471214 0.118630
C 0.578358 -4.008432 0.040557
C -5.204471 1.037155 0.179399
C 3.540329 3.974385 0.151718
C 1.705873 -5.062752 0.033915
C -5.533231 0.265181 1.462812
C -6.124979 2.256630 0.037694
C 5.052928 4.162022 -0.025416
C 3.069367 4.628603 1.456083
C 1.108701 -6.463942 -0.152063
C 2.535106 -5.001487 1.322243
H -2.844624 -0.413205 0.793771
H 1.119548 2.645927 0.813318
H 1.782325 -2.313416 0.733215
H -2.840611 0.310463 -2.313665
H -2.257247 -1.246790 -1.612946
H 1.661621 2.336993 -2.315703
H 0.040647 2.598488 -1.567094
H 1.167043 -2.578062 -2.386315
H 2.222259 -1.317010 -1.642981
H -3.466938 2.011459 1.099792
H -3.573336 2.241587 -0.641886
H 3.536341 1.970348 1.045645
H 3.743707 1.970581 -0.702162
H -0.149154 -4.225272 -0.768107
H -0.008274 -4.071368 0.979535
H -5.378690 0.361151 -0.695128
H 3.020968 4.475335 -0.703528
H 2.381251 -4.850142 -0.832568
H -5.366420 0.876201 2.357033
H -4.914776 -0.633155 1.563449
H -6.580439 -0.054926 1.477476
H -5.980709 2.969533 0.857005
H -7.179461 1.960142 0.047591
H -5.943989 2.791451 -0.900408
H 5.617816 3.669410 0.773675
H 5.325060 5.222961 -0.008503
H 5.401442 3.749716 -0.977976
H 3.318255 5.694844 1.478978
H 1.984795 4.542760 1.582326
H 3.536119 4.165864 2.332900
H 0.557583 -6.545388 -1.094646
H 1.891735 -7.229885 -0.163159
H 0.416552 -6.719276 0.657904
H 3.334882 -5.749592 1.316686
H 3.004892 -4.020890 1.453955
H 1.919670 -5.188596 2.209389


%chk=000249867-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249867

0 1
P -0.463619 0.294233 0.119887
O -0.511016 0.445650 1.714851
N -1.922103 0.875583 -0.717997
N 0.834479 1.220939 -0.706778
N -0.247799 -1.401213 -0.409641
C -3.279385 0.398426 -0.234853
C 1.777288 2.044112 0.164938
C 1.037828 -2.132934 -0.081646
C -2.757535 -0.044551 -1.591456
C 0.755429 2.734970 -0.718055
C 0.715617 -1.774236 -1.523892
C -4.344595 1.471473 -0.086539
C 3.250382 1.989429 -0.203095
C 0.889531 -3.545857 0.456722
C -5.798570 0.935225 -0.201497
C 4.051434 3.244098 0.244685
C 2.122298 -4.453814 0.190758
C -6.132787 -0.086494 0.912743
C -6.798334 2.115728 -0.173834
C 5.490447 3.182833 -0.319593
C 4.075186 3.399521 1.784636
C 1.819047 -5.900356 0.647905
C 3.399651 -3.920616 0.884481
H -3.256897 -0.366461 0.553735
H 1.533342 2.024965 1.236642
H 1.823331 -1.524407 0.389859
H -3.135592 0.435021 -2.501035
H -2.423818 -1.083937 -1.691842
H 1.071514 3.186102 -1.665529
H -0.115002 3.203149 -0.243497
H 0.335215 -2.550048 -2.198586
H 1.278064 -0.955112 -1.987192
H -4.215815 1.970941 0.895348
H -4.168852 2.242426 -0.862087
H 3.709906 1.086317 0.251284
H 3.329966 1.871079 -1.301568
H -0.011851 -3.996819 -0.002267
H 0.699121 -3.495630 1.548122
H -5.895876 0.421792 -1.181924
H 3.548238 4.136195 -0.185204
H 2.304374 -4.467430 -0.905089
H -5.995009 0.368776 1.912618
H -5.491734 -0.984893 0.858511
H -7.183993 -0.421573 0.836244
H -6.729837 2.661834 0.786909
H -7.839324 1.759647 -0.285573
H -6.594299 2.836904 -0.987348
H 6.027223 2.297777 0.073947
H 6.068971 4.081014 -0.034301
H 5.488902 3.114237 -1.423632
H 4.669294 4.283829 2.081230
H 3.061113 3.522615 2.205360
H 4.533965 2.510388 2.259261
H 0.926059 -6.306476 0.136870
H 2.669977 -6.573647 0.434338
H 1.628401 -5.933027 1.738046
H 4.251813 -4.605717 0.718890
H 3.693769 -2.925719 0.503681
H 3.242461 -3.834567 1.977146


