%chk=000256018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000256018

0 1
N -0.187097 1.119402 -0.721372
N -1.561890 0.893932 -0.753542
C 1.165360 -1.066130 0.129811
C 2.050163 -0.114579 -0.227900
C 0.631197 0.200752 -0.378316
C 0.917496 -2.381908 0.626484
C 3.387632 0.358218 -0.388100
C 2.000776 -3.161298 1.080651
C 4.472419 -0.466863 -0.034066
C -0.386199 -2.908880 0.658703
C 3.620816 1.649091 -0.899248
C -2.270644 2.048216 -1.281686
C -2.200822 0.157658 0.329516
C 1.774714 -4.450017 1.565045
C 5.777944 0.000621 -0.192637
C -0.600208 -4.200146 1.144841
C 4.930949 2.105041 -1.053029
C 0.475878 -4.970542 1.598267
C 6.008297 1.283944 -0.701043
C -3.460924 2.508159 -0.689603
C -3.312945 -0.634822 -0.011820
C -1.789189 2.647893 -2.463380
C -1.724187 0.185431 1.650069
C -4.172763 3.545391 -1.296589
C -3.935946 -1.400588 0.974136
C -2.510391 3.688357 -3.047252
C -2.355468 -0.593881 2.622620
C -3.704876 4.137938 -2.472377
C -3.458457 -1.386053 2.289695
H 3.011276 -2.751344 1.050105
H 4.285369 -1.466340 0.360997
H -1.225684 -2.307115 0.303935
H 2.774154 2.282864 -1.171287
H 2.610641 -5.052555 1.917132
H 6.619241 -0.635074 0.079506
H -1.610286 -4.607262 1.170051
H 5.114354 3.103476 -1.448498
H 0.303356 -5.976877 1.976612
H 7.028614 1.644669 -0.823324
H -3.831972 2.071883 0.235882
H -3.678822 -0.644500 -1.038835
H -0.858054 2.300623 -2.911636
H -0.873101 0.810338 1.918609
H -5.097880 3.897305 -0.841600
H -4.798738 -2.013756 0.715745
H -2.139946 4.152700 -3.960479
H -1.985677 -0.578600 3.647634
H -4.263043 4.946418 -2.937037
H -3.947138 -1.987886 3.052912


%chk=000256018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000256018

0 1
N -0.118120 1.309892 -0.520905
N -1.545698 1.146480 -0.421799
C 1.106006 -1.060356 0.168162
C 2.047774 -0.083580 -0.139045
C 0.654931 0.290955 -0.241538
C 0.843516 -2.431944 0.539800
C 3.404883 0.385174 -0.290516
C 1.924518 -3.325167 0.813623
C 4.539443 -0.445409 -0.053926
C -0.492612 -2.923732 0.624874
C 3.605192 1.740920 -0.689991
C -2.287245 2.041676 -1.244760
C -2.140830 0.345280 0.599234
C 1.675651 -4.665951 1.159424
C 5.839977 0.069379 -0.212939
C -0.734020 -4.268340 0.966988
C 4.909490 2.249310 -0.846139
C 0.344293 -5.144750 1.236916
C 6.029749 1.416735 -0.608647
C -3.609830 2.444699 -0.901090
C -3.304855 -0.426540 0.321487
C -1.691141 2.573004 -2.423204
C -1.577820 0.300209 1.905740
C -4.318012 3.336572 -1.731678
C -3.893546 -1.214714 1.332620
C -2.409141 3.472154 -3.238062
C -2.166583 -0.501982 2.904624
C -3.729650 3.857605 -2.908464
C -3.327166 -1.264225 2.629588
H 2.954709 -2.958945 0.754740
H 4.396576 -1.487074 0.251401
H -1.328844 -2.248925 0.421870
H 2.728011 2.372689 -0.868654
H 2.512645 -5.341160 1.368644
H 6.708611 -0.572692 -0.030530
H -1.764942 -4.633287 1.028035
H 5.057146 3.290606 -1.151769
H 0.151123 -6.189100 1.505965
H 7.043777 1.813180 -0.730760
H -4.073629 2.080084 0.020199
H -3.735218 -0.404565 -0.684796
H -0.669094 2.280910 -2.674602
H -0.694732 0.905805 2.132456
H -5.333163 3.636982 -1.446773
H -4.790751 -1.800697 1.102098
H -1.932678 3.869297 -4.142135
H -1.722534 -0.522938 3.906170
H -4.285000 4.551344 -3.548614
H -3.782866 -1.881568 3.410980


