%chk=000201707.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000201707

0 1
O -0.383471 0.143512 0.337943
O 2.742990 0.784248 1.941015
O 0.107500 1.254722 2.248366
N -3.864812 1.024403 -1.714265
C -3.942582 -0.139412 -0.778953
C -3.246204 2.197689 -1.022590
C -2.557514 -0.560770 -0.225074
C -1.826525 1.894494 -0.482270
C -1.791903 0.622598 0.360861
C -4.942809 0.229289 0.340824
C -4.221646 2.650626 0.087896
C -4.582767 1.529562 1.070391
C 2.385170 0.074789 -0.307986
C -3.180866 0.686877 -2.995528
C 1.878385 -0.042580 1.157058
C 3.807908 -0.501389 -0.427979
C 2.356274 1.544751 -0.769545
C 0.452744 0.542390 1.332917
C 4.341174 -0.360747 -1.858887
C 2.891038 1.684237 -2.200097
C 4.304940 1.100549 -2.326743
C 1.886891 -1.472212 1.674154
C 0.937162 -2.396526 1.216528
C 2.867923 -1.874065 2.590011
C 0.965932 -3.713373 1.681386
C 2.891436 -3.191974 3.054614
C 1.941023 -4.112437 2.602043
H -4.362434 -1.010032 -1.347645
H -3.159075 3.029737 -1.769388
H -2.676342 -1.351242 0.537942
H -1.956982 -1.020339 -1.036337
H -1.454816 2.750111 0.112865
H -1.120899 1.792980 -1.330904
H -2.069415 0.822080 1.422573
H -5.946879 0.338706 -0.119198
H -5.019336 -0.603430 1.062256
H -5.148310 3.019748 -0.398138
H -3.791426 3.509652 0.633577
H -5.432869 1.849068 1.703049
H -3.739468 1.352992 1.770437
H 1.687630 -0.522464 -0.947135
H -3.731162 -0.129661 -3.490052
H -2.127519 0.385240 -2.896221
H -3.229878 1.559770 -3.666435
H 3.817639 -1.565063 -0.124232
H 4.475068 0.027559 0.283281
H 2.965935 2.156144 -0.071861
H 1.327016 1.944740 -0.713315
H 3.744872 -0.990199 -2.546738
H 5.376268 -0.747396 -1.909920
H 2.896413 2.750791 -2.493215
H 2.210454 1.173873 -2.908032
H 4.653092 1.172920 -3.373189
H 5.012020 1.702543 -1.723549
H 2.319431 1.014955 2.807983
H 0.173699 -2.084152 0.499647
H 3.615701 -1.153743 2.929507
H 0.227560 -4.430081 1.326255
H 3.653044 -3.501043 3.768752
H 1.960178 -5.138613 2.964792


%chk=000201707-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000201707

0 1
O -0.361590 0.034085 0.307246
O 2.775023 0.768309 2.038923
O 0.198981 1.412642 2.099651
N -3.983628 1.020076 -1.640705
C -4.078091 -0.111027 -0.677275
C -3.312569 2.182774 -0.997140
C -2.660470 -0.591968 -0.204055
C -1.855143 1.828091 -0.535178
C -1.795694 0.556903 0.332937
C -5.036269 0.304958 0.469674
C -4.233413 2.717613 0.130520
C -4.630576 1.631430 1.162573
C 2.511169 0.078266 -0.303047
C -3.469093 0.662546 -2.975931
C 1.941479 -0.045342 1.151894
C 3.965590 -0.452669 -0.373955
C 2.442589 1.537995 -0.819054
C 0.507606 0.545033 1.238324
C 4.541676 -0.327745 -1.804285
C 3.017938 1.662518 -2.249711
C 4.466903 1.127382 -2.322765
C 1.914371 -1.513828 1.644148
C 1.179119 -2.510763 0.951988
C 2.659378 -1.880367 2.790301
C 1.190660 -3.849022 1.402258
C 2.668160 -3.219928 3.241264
C 1.934784 -4.210544 2.549743
H -4.545214 -0.962834 -1.209284
H -3.222489 2.978772 -1.762184
H -2.759728 -1.384980 0.559978
H -2.137273 -1.040372 -1.071132
H -1.407755 2.679264 0.009414
H -1.239607 1.651445 -1.439393
H -2.007042 0.784861 1.389700
H -6.038586 0.429376 0.017612
H -5.106709 -0.511775 1.214382
H -5.149198 3.101160 -0.358199
H -3.745569 3.570941 0.640416
H -5.475470 1.997558 1.776496
H -3.800069 1.456957 1.870851
H 1.871600 -0.554925 -0.952120
H -4.097395 -0.139590 -3.404205
H -2.408655 0.311002 -3.000690
H -3.545021 1.541930 -3.641157
H 4.001416 -1.507990 -0.044137
H 4.586209 0.129583 0.334493
H 3.019173 2.180748 -0.126052
H 1.396094 1.904266 -0.810302
H 3.970327 -0.987730 -2.490695
H 5.589461 -0.685934 -1.816455
H 2.981009 2.719624 -2.578319
H 2.381915 1.085259 -2.953586
H 4.846782 1.186900 -3.361446
H 5.123174 1.769689 -1.700049
H 2.154667 1.338291 2.576058
H 0.586451 -2.239859 0.072189
H 3.234104 -1.106050 3.306020
H 0.617417 -4.609093 0.858843
H 3.251347 -3.489020 4.129512
H 1.942341 -5.249491 2.898594


